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

C18H28ClN5O3S — CID 58035340

IUPACN-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1c(Cl)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C18H28ClN5O3S/c1-13-16(20-12-21-17(13)19)18(25)24-10-6-15(7-11-24)23-8-4-14(5-9-23)22(2)28(3,26)27/h12,14-15H,4-11H2,1-3H3
InChIKeyIONFMEHZQYILPZ-UHFFFAOYSA-N
MW429.97 g/mol
LogP1.40
Rot. Bonds4

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

N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 58035340) has the molecular formula C18H28ClN5O3S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID58035340
Molecular FormulaC18H28ClN5O3S
Molecular Weight429.97 g/mol
Exact Mass429.16
IUPAC NameN-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1c(Cl)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C18H28ClN5O3S/c1-13-16(20-12-21-17(13)19)18(25)24-10-6-15(7-11-24)23-8-4-14(5-9-23)22(2)28(3,26)27/h12,14-15H,4-11H2,1-3H3
InChIKeyIONFMEHZQYILPZ-UHFFFAOYSA-N
XLogP1.40
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-[1-(6-chloro-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-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 58035340) is N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is Cc1c(Cl)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is IONFMEHZQYILPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN5O3S/c1-13-16(20-12-21-17(13)19)18(25)24-10-6-15(7-11-24)23-8-4-14(5-9-23)22(2)28(3,26)27/h12,14-15H,4-11H2,1-3H3.
What are the key properties of N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 429.97 g/mol, XLogP of 1.40, 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-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 58035340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).