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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).