N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide

C19H31N5O2 — CID 135719626

IUPACN-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
SMILESCCc1cc(=O)[nH]c(NC2CCN(CC(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C19H31N5O2/c1-2-14-12-17(25)23-19(21-14)22-16-8-10-24(11-9-16)13-18(26)20-15-6-4-3-5-7-15/h12,15-16H,2-11,13H2,1H3,(H,20,26)(H2,21,22,23,25)
InChIKeyHNGOIKYEWJGCMC-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.66
Rot. Bonds6

About N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide

N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide (PubChem CID 135719626) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
PubChem CID135719626
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
SMILESCCc1cc(=O)[nH]c(NC2CCN(CC(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C19H31N5O2/c1-2-14-12-17(25)23-19(21-14)22-16-8-10-24(11-9-16)13-18(26)20-15-6-4-3-5-7-15/h12,15-16H,2-11,13H2,1H3,(H,20,26)(H2,21,22,23,25)
InChIKeyHNGOIKYEWJGCMC-UHFFFAOYSA-N
XLogP1.66
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide (CID 135719626) is N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide is CCc1cc(=O)[nH]c(NC2CCN(CC(=O)NC3CCCCC3)CC2)n1.
What is the InChIKey of N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is HNGOIKYEWJGCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-2-14-12-17(25)23-19(21-14)22-16-8-10-24(11-9-16)13-18(26)20-15-6-4-3-5-7-15/h12,15-16H,2-11,13H2,1H3,(H,20,26)(H2,21,22,23,25).
What are the key properties of N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide?
N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 135719626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).