N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride

C20H30ClN3O3 — CID 119617668

IUPACN-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C1CC1
InChIInChI=1S/C20H29N3O3.ClH/c21-14-18(15-6-7-15)22-20(25)16-8-11-23(12-9-16)19(24)10-13-26-17-4-2-1-3-5-17;/h1-5,15-16,18H,6-14,21H2,(H,22,25);1H
InChIKeyOPQJVQUVMDFDQN-UHFFFAOYSA-N
MW395.93 g/mol
LogP1.97
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119617668) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119617668
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C1CC1
InChIInChI=1S/C20H29N3O3.ClH/c21-14-18(15-6-7-15)22-20(25)16-8-11-23(12-9-16)19(24)10-13-26-17-4-2-1-3-5-17;/h1-5,15-16,18H,6-14,21H2,(H,22,25);1H
InChIKeyOPQJVQUVMDFDQN-UHFFFAOYSA-N
XLogP1.97
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
(E)-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693343
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55875019
N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 56572052
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate
CID 55878992

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride (CID 119617668) is N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is OPQJVQUVMDFDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c21-14-18(15-6-7-15)22-20(25)16-8-11-23(12-9-16)19(24)10-13-26-17-4-2-1-3-5-17;/h1-5,15-16,18H,6-14,21H2,(H,22,25);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119617668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).