4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide

C20H28N4O — CID 126451846

IUPAC4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide
SMILESCN1CC[C@](C)(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1
InChIInChI=1S/C20H28N4O/c1-19(8-11-23(2)16-19)15-22-18(25)24-12-9-20(14-21,10-13-24)17-6-4-3-5-7-17/h3-7H,8-13,15-16H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyMDMDGDJZMVGUGU-LJQANCHMSA-N
MW340.47 g/mol
LogP2.60
Rot. Bonds3

About 4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide

4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 126451846) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide
PubChem CID126451846
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide
SMILESCN1CC[C@](C)(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1
InChIInChI=1S/C20H28N4O/c1-19(8-11-23(2)16-19)15-22-18(25)24-12-9-20(14-21,10-13-24)17-6-4-3-5-7-17/h3-7H,8-13,15-16H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyMDMDGDJZMVGUGU-LJQANCHMSA-N
XLogP2.60
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868
N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 126450581
4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3864975
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide
CID 119060645
4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
CID 4576172
4-cyano-N-(2-methylsulfanylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3488591
1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide
CID 3249682
4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide
CID 3717988
1-(3-methylsulfonylpropanoyl)-4-phenylpiperidine-4-carbonitrile
CID 131905041
4-(2,4-dimethylphenyl)-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 126435166
4-(2,4-dimethylphenyl)-N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 126435165

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide (CID 126451846) is 4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide is CN1CC[C@](C)(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1.
What is the InChIKey of 4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is MDMDGDJZMVGUGU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N4O/c1-19(8-11-23(2)16-19)15-22-18(25)24-12-9-20(14-21,10-13-24)17-6-4-3-5-7-17/h3-7H,8-13,15-16H2,1-2H3,(H,22,25)/t19-/m1/s1.
What are the key properties of 4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide?
4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 126451846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).