N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide

C17H25N3O3 — CID 119481465

IUPACN-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
SMILESCCOc1cccc(C(=O)N2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C17H25N3O3/c1-2-23-15-7-3-5-13(11-15)17(22)20-10-4-6-14(12-20)16(21)19-9-8-18/h3,5,7,11,14H,2,4,6,8-10,12,18H2,1H3,(H,19,21)
InChIKeyJXVQNNPMXVBREU-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.01
Rot. Bonds6

About N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide (PubChem CID 119481465) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
PubChem CID119481465
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
SMILESCCOc1cccc(C(=O)N2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C17H25N3O3/c1-2-23-15-7-3-5-13(11-15)17(22)20-10-4-6-14(12-20)16(21)19-9-8-18/h3,5,7,11,14H,2,4,6,8-10,12,18H2,1H3,(H,19,21)
InChIKeyJXVQNNPMXVBREU-UHFFFAOYSA-N
XLogP1.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793893
N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119479842
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
N-(2-aminoethyl)-1-(3-pyrazin-2-yloxybenzoyl)piperidine-3-carboxamide
CID 119480783
N-(2-aminoethyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481384
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481452
N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide
CID 119482116
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide
CID 119480695

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide (CID 119481465) is N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide is CCOc1cccc(C(=O)N2CCCC(C(=O)NCCN)C2)c1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide?
The InChIKey is JXVQNNPMXVBREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-23-15-7-3-5-13(11-15)17(22)20-10-4-6-14(12-20)16(21)19-9-8-18/h3,5,7,11,14H,2,4,6,8-10,12,18H2,1H3,(H,19,21).
What are the key properties of N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.01, 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-(3-ethoxybenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119481465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).