N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C19H29N3O3 — CID 119995540

IUPACN-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(CN)CNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-15(13-20)14-21-19(24)16-7-10-22(11-8-16)18(23)9-12-25-17-5-3-2-4-6-17/h2-6,15-16H,7-14,20H2,1H3,(H,21,24)
InChIKeyLFCQYRXAFPOHGZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.41
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 119995540) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID119995540
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCC(CN)CNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-15(13-20)14-21-19(24)16-7-10-22(11-8-16)18(23)9-12-25-17-5-3-2-4-6-17/h2-6,15-16H,7-14,20H2,1H3,(H,21,24)
InChIKeyLFCQYRXAFPOHGZ-UHFFFAOYSA-N
XLogP1.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119617668
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78904763
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55875019
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 119995540) is N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CC(CN)CNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is LFCQYRXAFPOHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(13-20)14-21-19(24)16-7-10-22(11-8-16)18(23)9-12-25-17-5-3-2-4-6-17/h2-6,15-16H,7-14,20H2,1H3,(H,21,24).
What are the key properties of N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 119995540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).