(2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide

C22H27N3O2 — CID 97437174

IUPAC(2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C22H27N3O2/c26-22(25-12-4-7-21(25)19-5-2-1-3-6-19)23-20-10-8-18(9-11-20)17-24-13-15-27-16-14-24/h1-3,5-6,8-11,21H,4,7,12-17H2,(H,23,26)/t21-/m0/s1
InChIKeyJOSPOILKKMPGQT-NRFANRHFSA-N
MW365.48 g/mol
LogP3.89
Rot. Bonds4

About (2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide

(2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide (PubChem CID 97437174) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide
PubChem CID97437174
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C22H27N3O2/c26-22(25-12-4-7-21(25)19-5-2-1-3-6-19)23-20-10-8-18(9-11-20)17-24-13-15-27-16-14-24/h1-3,5-6,8-11,21H,4,7,12-17H2,(H,23,26)/t21-/m0/s1
InChIKeyJOSPOILKKMPGQT-NRFANRHFSA-N
XLogP3.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide
CID 126450255
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 55697597
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
2-[3-(methylamino)piperidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 119919788
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423
N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 170680012
N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
CID 134584192
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
2-(4-aminopiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119908408
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
2-(4-methoxyphenyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136511992

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide (CID 97437174) is (2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)N1CCC[C@H]1c1ccccc1.
What is the InChIKey of (2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide?
The InChIKey is JOSPOILKKMPGQT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(25-12-4-7-21(25)19-5-2-1-3-6-19)23-20-10-8-18(9-11-20)17-24-13-15-27-16-14-24/h1-3,5-6,8-11,21H,4,7,12-17H2,(H,23,26)/t21-/m0/s1.
What are the key properties of (2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide?
(2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97437174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).