(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide

C18H25N3O2 — CID 98784893

IUPAC(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESC[C@H]1CCCCN1Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C18H25N3O2/c1-13-4-2-3-11-21(13)12-14-5-7-15(8-6-14)19-18(23)16-9-10-17(22)20-16/h5-8,13,16H,2-4,9-12H2,1H3,(H,19,23)(H,20,22)/t13-,16+/m0/s1
InChIKeyKZHAINZFXLMNGW-XJKSGUPXSA-N
MW315.42 g/mol
LogP2.28
Rot. Bonds4

About (2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 98784893) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID98784893
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESC[C@H]1CCCCN1Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C18H25N3O2/c1-13-4-2-3-11-21(13)12-14-5-7-15(8-6-14)19-18(23)16-9-10-17(22)20-16/h5-8,13,16H,2-4,9-12H2,1H3,(H,19,23)(H,20,22)/t13-,16+/m0/s1
InChIKeyKZHAINZFXLMNGW-XJKSGUPXSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844976
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119844969
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55972021
2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 24710537
(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 119844945
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 94806275
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 119844949
1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 112845834
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946474

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide (CID 98784893) is (2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide is C[C@H]1CCCCN1Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1.
What is the InChIKey of (2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KZHAINZFXLMNGW-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-4-2-3-11-21(13)12-14-5-7-15(8-6-14)19-18(23)16-9-10-17(22)20-16/h5-8,13,16H,2-4,9-12H2,1H3,(H,19,23)(H,20,22)/t13-,16+/m0/s1.
What are the key properties of (2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 98784893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).