3-(benzylamino)-5-propylpiperidine-1-carboxamide

C16H25N3O — CID 83993642

IUPAC3-(benzylamino)-5-propylpiperidine-1-carboxamide
SMILESCCCC1CC(NCc2ccccc2)CN(C(N)=O)C1
InChIInChI=1S/C16H25N3O/c1-2-6-14-9-15(12-19(11-14)16(17)20)18-10-13-7-4-3-5-8-13/h3-5,7-8,14-15,18H,2,6,9-12H2,1H3,(H2,17,20)
InChIKeyHPUNZARTAAYQPP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.35
Rot. Bonds5

About 3-(benzylamino)-5-propylpiperidine-1-carboxamide

3-(benzylamino)-5-propylpiperidine-1-carboxamide (PubChem CID 83993642) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(benzylamino)-5-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(benzylamino)-5-propylpiperidine-1-carboxamide
PubChem CID83993642
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(benzylamino)-5-propylpiperidine-1-carboxamide
SMILESCCCC1CC(NCc2ccccc2)CN(C(N)=O)C1
InChIInChI=1S/C16H25N3O/c1-2-6-14-9-15(12-19(11-14)16(17)20)18-10-13-7-4-3-5-8-13/h3-5,7-8,14-15,18H,2,6,9-12H2,1H3,(H2,17,20)
InChIKeyHPUNZARTAAYQPP-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717
2-[5-(benzylamino)-1-butanoylpiperidin-3-yl]acetic acid
CID 83993716
benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate
CID 112545003
3-(cyclobutylmethylamino)-5-propylpiperidine-1-carboxamide
CID 83997100
ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate
CID 83993679
1-[3-(benzylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanone
CID 83993688
N-benzyl-5-butyl-1-methylpiperidin-3-amine
CID 83993440
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid
CID 83990342
2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid
CID 83994006
ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 83993632

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-5-propylpiperidine-1-carboxamide?
The IUPAC name of 3-(benzylamino)-5-propylpiperidine-1-carboxamide (CID 83993642) is 3-(benzylamino)-5-propylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(benzylamino)-5-propylpiperidine-1-carboxamide?
The canonical SMILES for 3-(benzylamino)-5-propylpiperidine-1-carboxamide is CCCC1CC(NCc2ccccc2)CN(C(N)=O)C1.
What is the InChIKey of 3-(benzylamino)-5-propylpiperidine-1-carboxamide?
The InChIKey is HPUNZARTAAYQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-6-14-9-15(12-19(11-14)16(17)20)18-10-13-7-4-3-5-8-13/h3-5,7-8,14-15,18H,2,6,9-12H2,1H3,(H2,17,20).
What are the key properties of 3-(benzylamino)-5-propylpiperidine-1-carboxamide?
3-(benzylamino)-5-propylpiperidine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-5-propylpiperidine-1-carboxamide is sourced from PubChem (CID 83993642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).