benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

C22H33N3O3 — CID 167463483

IUPACbenzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESO=C(NC1CC2(CCN(CC3(O)CCNCC3)CC2)C1)OCc1ccccc1
InChIInChI=1S/C22H33N3O3/c26-20(28-16-18-4-2-1-3-5-18)24-19-14-21(15-19)8-12-25(13-9-21)17-22(27)6-10-23-11-7-22/h1-5,19,23,27H,6-17H2,(H,24,26)
InChIKeyZGHJQZMJFAMEFL-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.27
Rot. Bonds5

About benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (PubChem CID 167463483) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
PubChem CID167463483
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Namebenzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESO=C(NC1CC2(CCN(CC3(O)CCNCC3)CC2)C1)OCc1ccccc1
InChIInChI=1S/C22H33N3O3/c26-20(28-16-18-4-2-1-3-5-18)24-19-14-21(15-19)8-12-25(13-9-21)17-22(27)6-10-23-11-7-22/h1-5,19,23,27H,6-17H2,(H,24,26)
InChIKeyZGHJQZMJFAMEFL-UHFFFAOYSA-N
XLogP2.27
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate 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

2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid
CID 175911996
benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
CID 124556141
benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride
CID 171991675
cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate
CID 155875097
benzyl N-[7-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 167463597
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
CID 125117285
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate
CID 167462983
benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate
CID 163966930
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830

Frequently Asked Questions

What is the IUPAC name of benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The IUPAC name of benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (CID 167463483) is benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The canonical SMILES for benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is O=C(NC1CC2(CCN(CC3(O)CCNCC3)CC2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The InChIKey is ZGHJQZMJFAMEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c26-20(28-16-18-4-2-1-3-5-18)24-19-14-21(15-19)8-12-25(13-9-21)17-22(27)6-10-23-11-7-22/h1-5,19,23,27H,6-17H2,(H,24,26).
What are the key properties of benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate has a molecular weight of 387.52 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is sourced from PubChem (CID 167463483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).