N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide

C22H34N4O2 — CID 52998822

IUPACN-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CC(=O)NCCN3CCCCC3)CC2)cc1
InChIInChI=1S/C22H34N4O2/c1-18-5-7-20(8-6-18)24-22(28)26-14-9-19(10-15-26)17-21(27)23-11-16-25-12-3-2-4-13-25/h5-8,19H,2-4,9-17H2,1H3,(H,23,27)(H,24,28)
InChIKeyJNUZRVSMFVKVMS-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.23
Rot. Bonds6

About N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide

N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide (PubChem CID 52998822) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide
PubChem CID52998822
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CC(=O)NCCN3CCCCC3)CC2)cc1
InChIInChI=1S/C22H34N4O2/c1-18-5-7-20(8-6-18)24-22(28)26-14-9-19(10-15-26)17-21(27)23-11-16-25-12-3-2-4-13-25/h5-8,19H,2-4,9-17H2,1H3,(H,23,27)(H,24,28)
InChIKeyJNUZRVSMFVKVMS-UHFFFAOYSA-N
XLogP3.23
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 52998818
4-[2-[[(3S)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95065270
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46295063
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]piperidine-1-carboxamide
CID 95093850
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 50767882
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 52998801
4-[2-(cyclobutanecarbonylamino)ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913288
4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 95065266
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845478

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide (CID 52998822) is N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CC(=O)NCCN3CCCCC3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is JNUZRVSMFVKVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-18-5-7-20(8-6-18)24-22(28)26-14-9-19(10-15-26)17-21(27)23-11-16-25-12-3-2-4-13-25/h5-8,19H,2-4,9-17H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide?
N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 52998822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).