4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide

C18H27ClN4O2 — CID 42695544

IUPAC4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
SMILESCCC(C)C(N)C(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)C(C)C1
InChIInChI=1S/C18H27ClN4O2/c1-4-12(2)16(20)17(24)22-8-9-23(13(3)11-22)18(25)21-15-7-5-6-14(19)10-15/h5-7,10,12-13,16H,4,8-9,11,20H2,1-3H3,(H,21,25)
InChIKeyCUWLWUIQIUMWGX-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.78
Rot. Bonds4

About 4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide

4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 42695544) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
PubChem CID42695544
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
SMILESCCC(C)C(N)C(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)C(C)C1
InChIInChI=1S/C18H27ClN4O2/c1-4-12(2)16(20)17(24)22-8-9-23(13(3)11-22)18(25)21-15-7-5-6-14(19)10-15/h5-7,10,12-13,16H,4,8-9,11,20H2,1-3H3,(H,21,25)
InChIKeyCUWLWUIQIUMWGX-UHFFFAOYSA-N
XLogP2.78
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(4-butylbenzoyl)amino]-3-methylpentanoyl]-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 4675891
(2R)-N-(3-chlorophenyl)-4-[(2S)-2-[[(2R)-2-chloro-2-phenylacetyl]amino]-3-phenylpropanoyl]-2-methylpiperazine-1-carboxamide
CID 98399877
4-[2-(4-chlorobutanoylamino)-3-phenylpropanoyl]-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 46115899
4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42710452
4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42710442
propan-2-yl 4-[4-[(3-chlorophenyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate
CID 3536312
N-(4-chlorophenyl)-2-methyl-4-[3-methyl-2-(2-phenylbutanoylamino)pentanoyl]piperazine-1-carboxamide
CID 42725007
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
N-(4-chlorophenyl)-4-[2-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
CID 42725006
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42725485
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide (CID 42695544) is 4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide is CCC(C)C(N)C(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)C(C)C1.
What is the InChIKey of 4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is CUWLWUIQIUMWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-4-12(2)16(20)17(24)22-8-9-23(13(3)11-22)18(25)21-15-7-5-6-14(19)10-15/h5-7,10,12-13,16H,4,8-9,11,20H2,1-3H3,(H,21,25).
What are the key properties of 4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide?
4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 42695544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).