3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide

C16H31N3O — CID 63131690

IUPAC3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)NCC(C)N2CCCCC2)CCCNC1
InChIInChI=1S/C16H31N3O/c1-3-16(8-7-9-17-13-16)15(20)18-12-14(2)19-10-5-4-6-11-19/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyXBGAQOTWANPPBZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds5

About 3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide

3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 63131690) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide
PubChem CID63131690
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)NCC(C)N2CCCCC2)CCCNC1
InChIInChI=1S/C16H31N3O/c1-3-16(8-7-9-17-13-16)15(20)18-12-14(2)19-10-5-4-6-11-19/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyXBGAQOTWANPPBZ-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 63135374
2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475549
(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63132853
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide
CID 63141311
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
1-ethyl-N-[(2R)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 83059320
N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide
CID 114296561

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide (CID 63131690) is 3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide is CCC1(C(=O)NCC(C)N2CCCCC2)CCCNC1.
What is the InChIKey of 3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is XBGAQOTWANPPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-16(8-7-9-17-13-16)15(20)18-12-14(2)19-10-5-4-6-11-19/h14,17H,3-13H2,1-2H3,(H,18,20).
What are the key properties of 3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide?
3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 63131690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).