N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide

C19H31N5O2 — CID 135674466

IUPACN-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
SMILESCc1nc(NC2CCN(CC(=O)NC3CCCCC3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C19H31N5O2/c1-13-14(2)20-19(23-18(13)26)22-16-8-10-24(11-9-16)12-17(25)21-15-6-4-3-5-7-15/h15-16H,3-12H2,1-2H3,(H,21,25)(H2,20,22,23,26)
InChIKeyVJGYZBBBFMMQAQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.71
Rot. Bonds5

About N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide

N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide (PubChem CID 135674466) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
PubChem CID135674466
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
SMILESCc1nc(NC2CCN(CC(=O)NC3CCCCC3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C19H31N5O2/c1-13-14(2)20-19(23-18(13)26)22-16-8-10-24(11-9-16)12-17(25)21-15-6-4-3-5-7-15/h15-16H,3-12H2,1-2H3,(H,21,25)(H2,20,22,23,26)
InChIKeyVJGYZBBBFMMQAQ-UHFFFAOYSA-N
XLogP1.71
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.71
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-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide (CID 135674466) is N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide is Cc1nc(NC2CCN(CC(=O)NC3CCCCC3)CC2)[nH]c(=O)c1C.
What is the InChIKey of N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is VJGYZBBBFMMQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-13-14(2)20-19(23-18(13)26)22-16-8-10-24(11-9-16)12-17(25)21-15-6-4-3-5-7-15/h15-16H,3-12H2,1-2H3,(H,21,25)(H2,20,22,23,26).
What are the key properties of N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide?
N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 135674466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).