N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide

C20H30N2O3 — CID 95322166

IUPACN-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c1-16(17-7-4-3-5-8-17)15-19(23)22-12-9-18(10-13-22)20(24)21-11-6-14-25-2/h3-5,7-8,16,18H,6,9-15H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyIJAWWKWFYSAMFQ-MRXNPFEDSA-N
MW346.47 g/mol
LogP2.57
Rot. Bonds8

About N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide (PubChem CID 95322166) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide
PubChem CID95322166
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c1-16(17-7-4-3-5-8-17)15-19(23)22-12-9-18(10-13-22)20(24)21-11-6-14-25-2/h3-5,7-8,16,18H,6,9-15H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyIJAWWKWFYSAMFQ-MRXNPFEDSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974466
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 60551898
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415
1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974467
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
CID 119692938

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide (CID 95322166) is N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide?
The InChIKey is IJAWWKWFYSAMFQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(17-7-4-3-5-8-17)15-19(23)22-12-9-18(10-13-22)20(24)21-11-6-14-25-2/h3-5,7-8,16,18H,6,9-15H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 95322166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).