N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide

C17H26ClN5O3S — CID 58035291

IUPACN-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C2CCN(C(=O)c3cc(Cl)ncn3)CC2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H26ClN5O3S/c1-21(27(2,25)26)13-3-7-22(8-4-13)14-5-9-23(10-6-14)17(24)15-11-16(18)20-12-19-15/h11-14H,3-10H2,1-2H3
InChIKeyUTQOMEOLNVXUPL-UHFFFAOYSA-N
MW415.95 g/mol
LogP1.09
Rot. Bonds4

About N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 58035291) has the molecular formula C17H26ClN5O3S and a molecular weight of 415.95 g/mol. Its IUPAC name is N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID58035291
Molecular FormulaC17H26ClN5O3S
Molecular Weight415.95 g/mol
Exact Mass415.14
IUPAC NameN-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C2CCN(C(=O)c3cc(Cl)ncn3)CC2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H26ClN5O3S/c1-21(27(2,25)26)13-3-7-22(8-4-13)14-5-9-23(10-6-14)17(24)15-11-16(18)20-12-19-15/h11-14H,3-10H2,1-2H3
InChIKeyUTQOMEOLNVXUPL-UHFFFAOYSA-N
XLogP1.09
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 58035291) is N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is CN(C1CCN(C2CCN(C(=O)c3cc(Cl)ncn3)CC2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is UTQOMEOLNVXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN5O3S/c1-21(27(2,25)26)13-3-7-22(8-4-13)14-5-9-23(10-6-14)17(24)15-11-16(18)20-12-19-15/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 415.95 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6-chloropyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 58035291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).