(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide

C18H21N5O2 — CID 95775919

IUPAC(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide
SMILESN#Cc1cnn(CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C18H21N5O2/c19-10-16-11-21-23(13-16)7-6-20-18(24)17-14-22(8-9-25-17)12-15-4-2-1-3-5-15/h1-5,11,13,17H,6-9,12,14H2,(H,20,24)/t17-/m0/s1
InChIKeyYXADKLYSHJZKTB-KRWDZBQOSA-N
MW339.40 g/mol
LogP0.77
Rot. Bonds6

About (2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide

(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide (PubChem CID 95775919) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide
PubChem CID95775919
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide
SMILESN#Cc1cnn(CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C18H21N5O2/c19-10-16-11-21-23(13-16)7-6-20-18(24)17-14-22(8-9-25-17)12-15-4-2-1-3-5-15/h1-5,11,13,17H,6-9,12,14H2,(H,20,24)/t17-/m0/s1
InChIKeyYXADKLYSHJZKTB-KRWDZBQOSA-N
XLogP0.77
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide
CID 97215996
4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide
CID 71874213
(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 97008441
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 39303318
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide
CID 66557099
(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide
CID 95775991

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide (CID 95775919) is (2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide is N#Cc1cnn(CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1.
What is the InChIKey of (2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is YXADKLYSHJZKTB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N5O2/c19-10-16-11-21-23(13-16)7-6-20-18(24)17-14-22(8-9-25-17)12-15-4-2-1-3-5-15/h1-5,11,13,17H,6-9,12,14H2,(H,20,24)/t17-/m0/s1.
What are the key properties of (2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide?
(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 95775919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).