1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile

C20H26N4O — CID 118290801

IUPAC1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)N2CC(CNC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C20H26N4O/c21-11-15-6-8-23(9-7-15)20(25)24-13-16(14-24)12-22-19-10-18(19)17-4-2-1-3-5-17/h1-5,15-16,18-19,22H,6-10,12-14H2
InChIKeyVJFSXNAKZDCINM-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.42
Rot. Bonds4

About 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile

1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile (PubChem CID 118290801) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile
PubChem CID118290801
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)N2CC(CNC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C20H26N4O/c21-11-15-6-8-23(9-7-15)20(25)24-13-16(14-24)12-22-19-10-18(19)17-4-2-1-3-5-17/h1-5,15-16,18-19,22H,6-10,12-14H2
InChIKeyVJFSXNAKZDCINM-UHFFFAOYSA-N
XLogP2.42
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)piperidine-1-carboxamide
CID 46882917
N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide
CID 118728606
1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782571
1-(4-Phenylbutyl)-3-piperidin-4-ylurea
CID 154665761
4-ethyl-N-((1R,2S)-2-phenylcyclopropyl)piperazine-1-carboxamide
CID 44418566
N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide
CID 118728607
(2S,3R,4R)-2-cyano-3-[4-(3-fluorophenyl)phenyl]-4-methyl-N-propylazetidine-1-carboxamide
CID 137635190
(2S,3R,4S)-2-(azidomethyl)-4-cyano-3-[4-(3-fluorophenyl)phenyl]-N-propylazetidine-1-carboxamide
CID 137655290
US9670210, Example 13 Trans-2-phenyl-N-[(1-{[4-(trifluoromethyl)piperidin-1-yl]carbonyl}azetidin-3-yl)methyl]cyclopropanamine
CID 118290847
US10343992, Example 5
CID 122590392
1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea
CID 44589310
(2S,3R,4S)-2-(aminomethyl)-4-cyano-3-[4-(3-fluorophenyl)phenyl]-N-propylazetidine-1-carboxamide
CID 137632547

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile (CID 118290801) is 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile is N#CC1CCN(C(=O)N2CC(CNC3CC3c3ccccc3)C2)CC1.
What is the InChIKey of 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile?
The InChIKey is VJFSXNAKZDCINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c21-11-15-6-8-23(9-7-15)20(25)24-13-16(14-24)12-22-19-10-18(19)17-4-2-1-3-5-17/h1-5,15-16,18-19,22H,6-10,12-14H2.
What are the key properties of 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile?
1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile has a molecular weight of 338.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidine-1-carbonyl]piperidine-4-carbonitrile is sourced from PubChem (CID 118290801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).