N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide

C21H33N5O2 — CID 146075404

IUPACN-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)ccc1C(N)=O
InChIInChI=1S/C21H33N5O2/c1-15(2)24-10-12-25(13-11-24)18-6-8-26(9-7-18)21(28)23-17-4-5-19(20(22)27)16(3)14-17/h4-5,14-15,18H,6-13H2,1-3H3,(H2,22,27)(H,23,28)
InChIKeyHRFFRFVAJIVDLT-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.12
Rot. Bonds4

About N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide

N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide (PubChem CID 146075404) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide
PubChem CID146075404
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC NameN-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)ccc1C(N)=O
InChIInChI=1S/C21H33N5O2/c1-15(2)24-10-12-25(13-11-24)18-6-8-26(9-7-18)21(28)23-17-4-5-19(20(22)27)16(3)14-17/h4-5,14-15,18H,6-13H2,1-3H3,(H2,22,27)(H,23,28)
InChIKeyHRFFRFVAJIVDLT-UHFFFAOYSA-N
XLogP2.12
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 118774921
N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide
CID 102562155
4-butan-2-yl-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113104199
N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111112986
N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 122148707
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 20955487
N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 56517553
methyl 4-[(4-cyclohexylpiperazine-1-carbonyl)amino]benzoate
CID 113104639

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide (CID 146075404) is N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)ccc1C(N)=O.
What is the InChIKey of N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide?
The InChIKey is HRFFRFVAJIVDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-15(2)24-10-12-25(13-11-24)18-6-8-26(9-7-18)21(28)23-17-4-5-19(20(22)27)16(3)14-17/h4-5,14-15,18H,6-13H2,1-3H3,(H2,22,27)(H,23,28).
What are the key properties of N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide?
N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146075404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).