1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride

C22H36ClN3O3 — CID 119720641

IUPAC1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)OCCCNC(=O)C1CCN(C(=O)C(C)C(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C22H35N3O3.ClH/c1-16(2)28-15-7-12-24-21(26)19-10-13-25(14-11-19)22(27)17(3)20(23)18-8-5-4-6-9-18;/h4-6,8-9,16-17,19-20H,7,10-15,23H2,1-3H3,(H,24,26);1H
InChIKeyUUPVNECDBZDPTF-UHFFFAOYSA-N
MW426.00 g/mol
LogP2.91
Rot. Bonds9

About 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride

1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119720641) has the molecular formula C22H36ClN3O3 and a molecular weight of 426.00 g/mol. Its IUPAC name is 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119720641
Molecular FormulaC22H36ClN3O3
Molecular Weight426.00 g/mol
Exact Mass425.24
IUPAC Name1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)OCCCNC(=O)C1CCN(C(=O)C(C)C(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C22H35N3O3.ClH/c1-16(2)28-15-7-12-24-21(26)19-10-13-25(14-11-19)22(27)17(3)20(23)18-8-5-4-6-9-18;/h4-6,8-9,16-17,19-20H,7,10-15,23H2,1-3H3,(H,24,26);1H
InChIKeyUUPVNECDBZDPTF-UHFFFAOYSA-N
XLogP2.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.00
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-amino-3-phenylpropanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119287834
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732598
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119720652
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56510035
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415
N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide
CID 95322166
3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride (CID 119720641) is 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride is CC(C)OCCCNC(=O)C1CCN(C(=O)C(C)C(N)c2ccccc2)CC1.Cl.
What is the InChIKey of 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is UUPVNECDBZDPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3.ClH/c1-16(2)28-15-7-12-24-21(26)19-10-13-25(14-11-19)22(27)17(3)20(23)18-8-5-4-6-9-18;/h4-6,8-9,16-17,19-20H,7,10-15,23H2,1-3H3,(H,24,26);1H.
What are the key properties of 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride?
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 426.00 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119720641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).