2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile

C25H35N5O2 — CID 118297861

IUPAC2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)N2CCC(O)CC2)C1
InChIInChI=1S/C25H35N5O2/c26-11-10-25(17-29(18-25)24(32)28-12-8-21(31)9-13-28)30-14-6-20(7-15-30)27-23-16-22(23)19-4-2-1-3-5-19/h1-5,20-23,27,31H,6-10,12-18H2/t22?,23-/m1/s1
InChIKeyCFEZGDDEXODSOP-OZAIVSQSSA-N
MW437.59 g/mol
LogP2.14
Rot. Bonds5

About 2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile

2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 118297861) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
PubChem CID118297861
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)N2CCC(O)CC2)C1
InChIInChI=1S/C25H35N5O2/c26-11-10-25(17-29(18-25)24(32)28-12-8-21(31)9-13-28)30-14-6-20(7-15-30)27-23-16-22(23)19-4-2-1-3-5-19/h1-5,20-23,27,31H,6-10,12-18H2/t22?,23-/m1/s1
InChIKeyCFEZGDDEXODSOP-OZAIVSQSSA-N
XLogP2.14
TPSA82.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9670210, Example 12 1-[(3-{[(trans-2-Phenylcyclopropyl)amino]methyl}azetidin-1-yl)carbonyl]piperidine-4-carbonitrile
CID 118290801
US9994546, Example 24
CID 118292251
US9994546, Example 23
CID 118292254
US9994546, Example 72
CID 118297853
US9994546, Example 86
CID 118297858
US9994546, Example 89
CID 118297862
US9994546, Example 88
CID 118297897
US9994546, Example 106
CID 118297945
US9670210, Example 112 1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}piperidin-4-ol
CID 118302847
(3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide
CID 126432492
1-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea
CID 138019906
(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118290765

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile (CID 118297861) is 2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile is N#CCC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)N2CCC(O)CC2)C1.
What is the InChIKey of 2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is CFEZGDDEXODSOP-OZAIVSQSSA-N. The full InChI is InChI=1S/C25H35N5O2/c26-11-10-25(17-29(18-25)24(32)28-12-8-21(31)9-13-28)30-14-6-20(7-15-30)27-23-16-22(23)19-4-2-1-3-5-19/h1-5,20-23,27,31H,6-10,12-18H2/t22?,23-/m1/s1.
What are the key properties of 2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 437.59 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 118297861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).