N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

C18H27N3O2 — CID 113005906

IUPACN,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-10-20(11-4-2)17(22)15-7-12-21(13-8-15)18(23)16-6-5-9-19-14-16/h5-6,9,14-15H,3-4,7-8,10-13H2,1-2H3
InChIKeyRWXZXPJSHNOKRT-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.58
Rot. Bonds6

About N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 113005906) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID113005906
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-10-20(11-4-2)17(22)15-7-12-21(13-8-15)18(23)16-6-5-9-19-14-16/h5-6,9,14-15H,3-4,7-8,10-13H2,1-2H3
InChIKeyRWXZXPJSHNOKRT-UHFFFAOYSA-N
XLogP2.58
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005883
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
1-(4-methoxybenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005887
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (CID 113005906) is N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is CCCN(CCC)C(=O)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is RWXZXPJSHNOKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-10-20(11-4-2)17(22)15-7-12-21(13-8-15)18(23)16-6-5-9-19-14-16/h5-6,9,14-15H,3-4,7-8,10-13H2,1-2H3.
What are the key properties of N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).