N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide

C19H30ClN5O4S — CID 88574220

IUPACN-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCOc1nc(Cl)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C19H30ClN5O4S/c1-13-16(21-19(29-3)22-17(13)20)18(26)25-11-7-15(8-12-25)24-9-5-14(6-10-24)23(2)30(4,27)28/h14-15H,5-12H2,1-4H3
InChIKeyJXSMSHZTHWYUSY-UHFFFAOYSA-N
MW460.00 g/mol
LogP1.41
Rot. Bonds5

About N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 88574220) has the molecular formula C19H30ClN5O4S and a molecular weight of 460.00 g/mol. Its IUPAC name is N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID88574220
Molecular FormulaC19H30ClN5O4S
Molecular Weight460.00 g/mol
Exact Mass459.17
IUPAC NameN-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCOc1nc(Cl)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C19H30ClN5O4S/c1-13-16(21-19(29-3)22-17(13)20)18(26)25-11-7-15(8-12-25)24-9-5-14(6-10-24)23(2)30(4,27)28/h14-15H,5-12H2,1-4H3
InChIKeyJXSMSHZTHWYUSY-UHFFFAOYSA-N
XLogP1.41
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.00
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 58035340
N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 70883069
N-[1-[1-[5-[(4-tert-butylphenyl)methylamino]-6-methoxy-4-methylpyridazine-3-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 54760315
N-[1-[1-[6-[[5-(4-chlorophenyl)oxolan-2-yl]methylamino]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 77453678
N-[(3S)-1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 159438562
N-[1-[1-[6-[2-[6-(4-chlorophenyl)oxan-2-yl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 58035035
N-[1-[1-[6-[[6-(4-chlorophenyl)oxan-2-yl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 68515607
N-[1-[1-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 147700086
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734210
N-methyl-N-[1-[1-[5-methyl-6-[2-[(1S,3S)-3-phenylcyclohexyl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 149103037
N-methyl-N-[1-[1-[5-methyl-6-[2-[(2R,6S)-6-[6-(trifluoromethyl)-3-pyridinyl]oxan-2-yl]ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 58035146
N-methyl-N-[1-[1-[5-methyl-6-[[(2R,5R)-5-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 118258543

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 88574220) is N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is COc1nc(Cl)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1.
What is the InChIKey of N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is JXSMSHZTHWYUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN5O4S/c1-13-16(21-19(29-3)22-17(13)20)18(26)25-11-7-15(8-12-25)24-9-5-14(6-10-24)23(2)30(4,27)28/h14-15H,5-12H2,1-4H3.
What are the key properties of N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 460.00 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6-chloro-2-methoxy-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 88574220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).