N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide

C14H25N3O — CID 63129472

IUPACN-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NC(CC)CC#N)CCNCC1
InChIInChI=1S/C14H25N3O/c1-3-6-14(7-10-16-11-8-14)13(18)17-12(4-2)5-9-15/h12,16H,3-8,10-11H2,1-2H3,(H,17,18)
InChIKeyCAJFUDXUTKIOAM-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.96
Rot. Bonds6

About N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide

N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide (PubChem CID 63129472) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide
PubChem CID63129472
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NC(CC)CC#N)CCNCC1
InChIInChI=1S/C14H25N3O/c1-3-6-14(7-10-16-11-8-14)13(18)17-12(4-2)5-9-15/h12,16H,3-8,10-11H2,1-2H3,(H,17,18)
InChIKeyCAJFUDXUTKIOAM-UHFFFAOYSA-N
XLogP1.96
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
N-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxamide
CID 55178364
N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682
3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 63128810
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide
CID 106230204
N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide
CID 63128141
5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid
CID 82846529
3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 81073203
N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63127318
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide
CID 81385508

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide (CID 63129472) is N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NC(CC)CC#N)CCNCC1.
What is the InChIKey of N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide?
The InChIKey is CAJFUDXUTKIOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-6-14(7-10-16-11-8-14)13(18)17-12(4-2)5-9-15/h12,16H,3-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide?
N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63129472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).