N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide

C21H30N2O2 — CID 94823413

IUPACN-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide
SMILESC[C@H](CCc1ccccc1)CC(=O)N1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C21H30N2O2/c1-16(7-8-17-5-3-2-4-6-17)15-20(24)23-13-11-18(12-14-23)21(25)22-19-9-10-19/h2-6,16,18-19H,7-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyHCIPCYONXXFMOK-MRXNPFEDSA-N
MW342.48 g/mol
LogP3.16
Rot. Bonds7

About N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide

N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide (PubChem CID 94823413) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide
PubChem CID94823413
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide
SMILESC[C@H](CCc1ccccc1)CC(=O)N1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C21H30N2O2/c1-16(7-8-17-5-3-2-4-6-17)15-20(24)23-13-11-18(12-14-23)21(25)22-19-9-10-19/h2-6,16,18-19H,7-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyHCIPCYONXXFMOK-MRXNPFEDSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one
CID 71882918
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
methyl 4-[[(3R)-3-methyl-5-phenylpentanoyl]amino]piperidine-1-carboxylate
CID 94812309
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42456235
2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 108564353
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide (CID 94823413) is N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide is C[C@H](CCc1ccccc1)CC(=O)N1CCC(C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide?
The InChIKey is HCIPCYONXXFMOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16(7-8-17-5-3-2-4-6-17)15-20(24)23-13-11-18(12-14-23)21(25)22-19-9-10-19/h2-6,16,18-19H,7-15H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 94823413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).