4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide

C12H25N3O — CID 80552356

IUPAC4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(CNCC)CC1
InChIInChI=1S/C12H25N3O/c1-3-7-14-12(16)15-8-5-11(6-9-15)10-13-4-2/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyKIKLFSNRRWCXMX-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds5

About 4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide

4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide (PubChem CID 80552356) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
PubChem CID80552356
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(CNCC)CC1
InChIInChI=1S/C12H25N3O/c1-3-7-14-12(16)15-8-5-11(6-9-15)10-13-4-2/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyKIKLFSNRRWCXMX-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024
3-(methylaminomethyl)-N-propylpyrrolidine-1-carboxamide
CID 63264228
5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 119647811
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide;hydrochloride
CID 119928199
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
CID 79163549
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide
CID 77039009

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide (CID 80552356) is 4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(CNCC)CC1.
What is the InChIKey of 4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide?
The InChIKey is KIKLFSNRRWCXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-7-14-12(16)15-8-5-11(6-9-15)10-13-4-2/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide?
4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 80552356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).