4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide

C19H29N3O2 — CID 119595760

IUPAC4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCCC(C(C)N)C2)cc1
InChIInChI=1S/C19H29N3O2/c1-4-21(5-2)18(23)15-8-10-16(11-9-15)19(24)22-12-6-7-17(13-22)14(3)20/h8-11,14,17H,4-7,12-13,20H2,1-3H3
InChIKeyVAZGIBCJLNPNQZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.37
Rot. Bonds5

About 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide

4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide (PubChem CID 119595760) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
PubChem CID119595760
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCCC(C(C)N)C2)cc1
InChIInChI=1S/C19H29N3O2/c1-4-21(5-2)18(23)15-8-10-16(11-9-15)19(24)22-12-6-7-17(13-22)14(3)20/h8-11,14,17H,4-7,12-13,20H2,1-3H3
InChIKeyVAZGIBCJLNPNQZ-UHFFFAOYSA-N
XLogP2.37
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 124691388
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119593799
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 119596828
[3-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 119595101
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119592837
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide
CID 119595265
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119594746
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124690862
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124692087
[3-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 119594454

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide (CID 119595760) is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=O)N2CCCC(C(C)N)C2)cc1.
What is the InChIKey of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide?
The InChIKey is VAZGIBCJLNPNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-21(5-2)18(23)15-8-10-16(11-9-15)19(24)22-12-6-7-17(13-22)14(3)20/h8-11,14,17H,4-7,12-13,20H2,1-3H3.
What are the key properties of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide?
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide is sourced from PubChem (CID 119595760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).