2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile

C20H27N3 — CID 118292382

IUPAC2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile
SMILESN#CCC1(N2CCC(NC3CC3c3ccccc3)CC2)CCC1
InChIInChI=1S/C20H27N3/c21-12-11-20(9-4-10-20)23-13-7-17(8-14-23)22-19-15-18(19)16-5-2-1-3-6-16/h1-3,5-6,17-19,22H,4,7-11,13-15H2
InChIKeyGHEGXJMODHODMQ-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.43
Rot. Bonds5

About 2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile

2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile (PubChem CID 118292382) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile
PubChem CID118292382
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile
SMILESN#CCC1(N2CCC(NC3CC3c3ccccc3)CC2)CCC1
InChIInChI=1S/C20H27N3/c21-12-11-20(9-4-10-20)23-13-7-17(8-14-23)22-19-15-18(19)16-5-2-1-3-6-16/h1-3,5-6,17-19,22H,4,7-11,13-15H2
InChIKeyGHEGXJMODHODMQ-UHFFFAOYSA-N
XLogP3.43
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile?
The IUPAC name of 2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile (CID 118292382) is 2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile.
What is the SMILES notation for 2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile?
The canonical SMILES for 2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile is N#CCC1(N2CCC(NC3CC3c3ccccc3)CC2)CCC1.
What is the InChIKey of 2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile?
The InChIKey is GHEGXJMODHODMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c21-12-11-20(9-4-10-20)23-13-7-17(8-14-23)22-19-15-18(19)16-5-2-1-3-6-16/h1-3,5-6,17-19,22H,4,7-11,13-15H2.
What are the key properties of 2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile?
2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile has a molecular weight of 309.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]cyclobutyl]acetonitrile is sourced from PubChem (CID 118292382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).