N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C19H29N3O3 — CID 119629786

IUPACN-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCC(C)(N)CNC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-19(2,20)14-21-18(24)15-7-6-11-22(13-15)17(23)10-12-25-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14,20H2,1-2H3,(H,21,24)
InChIKeyWVVPBWJDXPXKDH-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.55
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 119629786) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID119629786
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCC(C)(N)CNC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-19(2,20)14-21-18(24)15-7-6-11-22(13-15)17(23)10-12-25-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14,20H2,1-2H3,(H,21,24)
InChIKeyWVVPBWJDXPXKDH-UHFFFAOYSA-N
XLogP1.55
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55965390
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687
N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
2-[2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242294
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60554234
ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 47078434
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 120945996
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55993927
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55962463
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 119629786) is N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is CC(C)(N)CNC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is WVVPBWJDXPXKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2,20)14-21-18(24)15-7-6-11-22(13-15)17(23)10-12-25-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14,20H2,1-2H3,(H,21,24).
What are the key properties of N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119629786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).