N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C14H22N4O — CID 47139414

IUPACN-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H22N4O/c1-2-5-16-14(19)18-9-7-17(8-10-18)12-13-4-3-6-15-11-13/h3-4,6,11H,2,5,7-10,12H2,1H3,(H,16,19)
InChIKeyRRSGCJJSKQLOIM-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.32
Rot. Bonds4

About N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 47139414) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID47139414
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H22N4O/c1-2-5-16-14(19)18-9-7-17(8-10-18)12-13-4-3-6-15-11-13/h3-4,6,11H,2,5,7-10,12H2,1H3,(H,16,19)
InChIKeyRRSGCJJSKQLOIM-UHFFFAOYSA-N
XLogP1.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carbothioamide
CID 19293444
4-(pyridin-3-ylmethyl)-N-(2-pyrrol-1-ylethyl)piperazine-1-carboxamide
CID 122563289
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 71892889
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 111507374
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 96516582
4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124505398
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 119070661
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108531

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 47139414) is N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is CCCNC(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is RRSGCJJSKQLOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-5-16-14(19)18-9-7-17(8-10-18)12-13-4-3-6-15-11-13/h3-4,6,11H,2,5,7-10,12H2,1H3,(H,16,19).
What are the key properties of N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 47139414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).