N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide

C18H27N3O3 — CID 119479891

IUPACN-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(C)C(=O)N2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C18H27N3O3/c1-13(14-5-3-7-16(11-14)24-2)18(23)21-10-4-6-15(12-21)17(22)20-9-8-19/h3,5,7,11,13,15H,4,6,8-10,12,19H2,1-2H3,(H,20,22)
InChIKeyLBUKJHFKZJWMBS-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.11
Rot. Bonds6

About N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide (PubChem CID 119479891) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
PubChem CID119479891
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(C)C(=O)N2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C18H27N3O3/c1-13(14-5-3-7-16(11-14)24-2)18(23)21-10-4-6-15(12-21)17(22)20-9-8-19/h3,5,7,11,13,15H,4,6,8-10,12,19H2,1-2H3,(H,20,22)
InChIKeyLBUKJHFKZJWMBS-UHFFFAOYSA-N
XLogP1.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide
CID 119481601
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 119484020
N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479394
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479592
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
CID 119480715
N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide
CID 49352371
N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide
CID 119480418
N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479851
N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480023
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide (CID 119479891) is N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide is COc1cccc(C(C)C(=O)N2CCCC(C(=O)NCCN)C2)c1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide?
The InChIKey is LBUKJHFKZJWMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(14-5-3-7-16(11-14)24-2)18(23)21-10-4-6-15(12-21)17(22)20-9-8-19/h3,5,7,11,13,15H,4,6,8-10,12,19H2,1-2H3,(H,20,22).
What are the key properties of N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119479891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).