4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide

C15H23N3O — CID 55215528

IUPAC4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1N1CCC(C(C)N)CC1
InChIInChI=1S/C15H23N3O/c1-10-9-13(15(17)19)3-4-14(10)18-7-5-12(6-8-18)11(2)16/h3-4,9,11-12H,5-8,16H2,1-2H3,(H2,17,19)
InChIKeyCGOGUWDSQUJBDH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.66
Rot. Bonds3

About 4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide

4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide (PubChem CID 55215528) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide
PubChem CID55215528
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1N1CCC(C(C)N)CC1
InChIInChI=1S/C15H23N3O/c1-10-9-13(15(17)19)3-4-14(10)18-7-5-12(6-8-18)11(2)16/h3-4,9,11-12H,5-8,16H2,1-2H3,(H2,17,19)
InChIKeyCGOGUWDSQUJBDH-UHFFFAOYSA-N
XLogP1.66
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-nitrobenzamide
CID 103976893
2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide
CID 114770036
2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide
CID 79522708
2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide
CID 114884814
4-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-3-methylbenzamide
CID 114484857
[4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 119521017
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
4-methyl-3-pyrrolidin-1-ylbenzamide
CID 68604380
[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol
CID 103498515
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide?
The IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide (CID 55215528) is 4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide.
What is the SMILES notation for 4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide?
The canonical SMILES for 4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1N1CCC(C(C)N)CC1.
What is the InChIKey of 4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide?
The InChIKey is CGOGUWDSQUJBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-9-13(15(17)19)3-4-14(10)18-7-5-12(6-8-18)11(2)16/h3-4,9,11-12H,5-8,16H2,1-2H3,(H2,17,19).
What are the key properties of 4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide?
4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 1.66, 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)piperidin-1-yl]-3-methylbenzamide is sourced from PubChem (CID 55215528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).