(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C21H30ClN3O2 — CID 126454885

IUPAC(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C21H30ClN3O2/c22-18-6-4-17(5-7-18)21(8-9-21)16-23-20(26)25-10-2-1-3-19(25)15-24-11-13-27-14-12-24/h4-7,19H,1-3,8-16H2,(H,23,26)/t19-/m1/s1
InChIKeyAZZJRPFVZFNIGE-LJQANCHMSA-N
MW391.94 g/mol
LogP3.27
Rot. Bonds5

About (2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide

(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 126454885) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is (2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID126454885
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C21H30ClN3O2/c22-18-6-4-17(5-7-18)21(8-9-21)16-23-20(26)25-10-2-1-3-19(25)15-24-11-13-27-14-12-24/h4-7,19H,1-3,8-16H2,(H,23,26)/t19-/m1/s1
InChIKeyAZZJRPFVZFNIGE-LJQANCHMSA-N
XLogP3.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide 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

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 122571565
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 97453908
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 113090708
(2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126451330
(2S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126451329
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 136524926
(2R)-N-(3-chloro-5-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97057326
[1-(4-chlorophenyl)cyclopentyl]-[(3R)-3-(morpholin-4-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 97105340
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014293
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 126454885) is (2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCCC[C@@H]1CN1CCOCC1.
What is the InChIKey of (2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is AZZJRPFVZFNIGE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c22-18-6-4-17(5-7-18)21(8-9-21)16-23-20(26)25-10-2-1-3-19(25)15-24-11-13-27-14-12-24/h4-7,19H,1-3,8-16H2,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 391.94 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126454885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).