N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide

C14H25N3O — CID 63224988

IUPACN-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)C(C)CC#N)CCCNC1
InChIInChI=1S/C14H25N3O/c1-4-7-14(8-5-10-16-11-14)13(18)17(3)12(2)6-9-15/h12,16H,4-8,10-11H2,1-3H3
InChIKeyRFYRWYKFNTYTHZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.92
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide

N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide (PubChem CID 63224988) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide
PubChem CID63224988
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)C(C)CC#N)CCCNC1
InChIInChI=1S/C14H25N3O/c1-4-7-14(8-5-10-16-11-14)13(18)17(3)12(2)6-9-15/h12,16H,4-8,10-11H2,1-3H3
InChIKeyRFYRWYKFNTYTHZ-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63131813
N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 104551752
N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide
CID 63131904
N-methoxy-N-methyl-3-propylpiperidine-3-carboxamide
CID 63135339
N-ethyl-N-(2-methylbutyl)-3-propylpiperidine-3-carboxamide
CID 79470746
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-propylpiperidine-3-carboxamide
CID 106915355
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143489
N-cyclopentyl-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130051
N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide
CID 83072233
N,N-bis(prop-2-enyl)-3-propylpiperidine-3-carboxamide
CID 63132269
N-(2-cyanopropyl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63143639

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide (CID 63224988) is N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)N(C)C(C)CC#N)CCCNC1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide?
The InChIKey is RFYRWYKFNTYTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-14(8-5-10-16-11-14)13(18)17(3)12(2)6-9-15/h12,16H,4-8,10-11H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide?
N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63224988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).