2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide

C17H31N3O — CID 63234286

IUPAC2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C17H31N3O/c1-5-9-17(14-18,10-6-2)16(21)20(4)13-15-7-11-19(3)12-8-15/h15H,5-13H2,1-4H3
InChIKeySFRGRMWPCFUTJY-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.90
Rot. Bonds7

About 2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide

2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide (PubChem CID 63234286) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide
PubChem CID63234286
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C17H31N3O/c1-5-9-17(14-18,10-6-2)16(21)20(4)13-15-7-11-19(3)12-8-15/h15H,5-13H2,1-4H3
InChIKeySFRGRMWPCFUTJY-UHFFFAOYSA-N
XLogP2.90
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide
CID 79314341
2-amino-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pentanamide
CID 63234440
2-(ethylamino)-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234481
N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide
CID 80548187
3-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-ynamide
CID 130774825
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
2-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 63297553
2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 76988468
2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 65300009
(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945243
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide (CID 63234286) is 2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide?
The InChIKey is SFRGRMWPCFUTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-9-17(14-18,10-6-2)16(21)20(4)13-15-7-11-19(3)12-8-15/h15H,5-13H2,1-4H3.
What are the key properties of 2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide?
2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide has a molecular weight of 293.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 63234286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).