1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide

C22H35N3O2 — CID 10270719

IUPAC1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NCCCN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C22H35N3O2/c1-16(2)15-18-5-7-19(8-6-18)17(3)22(27)24-11-4-12-25-13-9-20(10-14-25)21(23)26/h5-8,16-17,20H,4,9-15H2,1-3H3,(H2,23,26)(H,24,27)/t17-/m1/s1
InChIKeyWGYUPKKQBHORMU-QGZVFWFLSA-N
MW373.54 g/mol
LogP2.69
Rot. Bonds9

About 1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide

1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide (PubChem CID 10270719) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide
PubChem CID10270719
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NCCCN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C22H35N3O2/c1-16(2)15-18-5-7-19(8-6-18)17(3)22(27)24-11-4-12-25-13-9-20(10-14-25)21(23)26/h5-8,16-17,20H,4,9-15H2,1-3H3,(H2,23,26)(H,24,27)/t17-/m1/s1
InChIKeyWGYUPKKQBHORMU-QGZVFWFLSA-N
XLogP2.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 71064255
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 25019144
2-methyl-3-[4-[(2R)-1-oxo-1-(3-piperidin-1-ylpropylamino)propan-2-yl]phenyl]propanoic acid
CID 11667656
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 121452302
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide
CID 10062669
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
(2R)-N-[3-(diaminomethylideneamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 121452328
trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
CID 10274425
N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 171500112
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
CID 51218966
1-[4-[[N-ethyl-N'-[(4-methylphenyl)methyl]carbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111243777

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide (CID 10270719) is 1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide is CC(C)Cc1ccc([C@@H](C)C(=O)NCCCN2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide?
The InChIKey is WGYUPKKQBHORMU-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-16(2)15-18-5-7-19(8-6-18)17(3)22(27)24-11-4-12-25-13-9-20(10-14-25)21(23)26/h5-8,16-17,20H,4,9-15H2,1-3H3,(H2,23,26)(H,24,27)/t17-/m1/s1.
What are the key properties of 1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide?
1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 10270719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).