4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide

C15H21N3O2 — CID 119520138

IUPAC4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
SMILESCC(N)C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-10(16)11-6-8-18(9-7-11)15(20)13-4-2-12(3-5-13)14(17)19/h2-5,10-11H,6-9,16H2,1H3,(H2,17,19)
InChIKeyPOOCRJWVHZZHSZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.98
Rot. Bonds3

About 4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide

4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide (PubChem CID 119520138) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
PubChem CID119520138
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
SMILESCC(N)C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-10(16)11-6-8-18(9-7-11)15(20)13-4-2-12(3-5-13)14(17)19/h2-5,10-11H,6-9,16H2,1H3,(H2,17,19)
InChIKeyPOOCRJWVHZZHSZ-UHFFFAOYSA-N
XLogP0.98
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone
CID 119520336
[4-(1-aminoethyl)piperidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119516982
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride
CID 119520750
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
[4-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119520918
[3-(1-aminoethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 115969439
[4-(1-aminoethyl)piperidin-1-yl]-[4-(phenylsulfanylmethyl)phenyl]methanone;hydrochloride
CID 119520631
[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119520348
N-[[4-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119518835
[4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone
CID 119520334
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide?
The IUPAC name of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide (CID 119520138) is 4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide.
What is the SMILES notation for 4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide?
The canonical SMILES for 4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide is CC(N)C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide?
The InChIKey is POOCRJWVHZZHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(16)11-6-8-18(9-7-11)15(20)13-4-2-12(3-5-13)14(17)19/h2-5,10-11H,6-9,16H2,1H3,(H2,17,19).
What are the key properties of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide?
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 119520138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).