N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide

C19H30N4O2 — CID 126940622

IUPACN-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1cncn(CC2CCN(C(=O)NC3CCCCCC3)CC2)c1=O
InChIInChI=1S/C19H30N4O2/c1-15-12-20-14-23(18(15)24)13-16-8-10-22(11-9-16)19(25)21-17-6-4-2-3-5-7-17/h12,14,16-17H,2-11,13H2,1H3,(H,21,25)
InChIKeyIYYFZSDWDNHQJY-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.70
Rot. Bonds3

About N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide

N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 126940622) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID126940622
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1cncn(CC2CCN(C(=O)NC3CCCCCC3)CC2)c1=O
InChIInChI=1S/C19H30N4O2/c1-15-12-20-14-23(18(15)24)13-16-8-10-22(11-9-16)19(25)21-17-6-4-2-3-5-7-17/h12,14,16-17H,2-11,13H2,1H3,(H,21,25)
InChIKeyIYYFZSDWDNHQJY-UHFFFAOYSA-N
XLogP2.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide 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-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide (CID 126940622) is N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide is Cc1cncn(CC2CCN(C(=O)NC3CCCCCC3)CC2)c1=O.
What is the InChIKey of N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is IYYFZSDWDNHQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-12-20-14-23(18(15)24)13-16-8-10-22(11-9-16)19(25)21-17-6-4-2-3-5-7-17/h12,14,16-17H,2-11,13H2,1H3,(H,21,25).
What are the key properties of N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126940622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).