2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride

C20H31ClN4O2 — CID 120775605

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-14(23-12-10-17(21)20(2,3)13-23)19(26)22-15-6-8-16(9-7-15)24-11-4-5-18(24)25;/h6-9,14,17H,4-5,10-13,21H2,1-3H3,(H,22,26);1H
InChIKeyOEGPXNBIAOETRY-UHFFFAOYSA-N
MW394.95 g/mol
LogP2.62
Rot. Bonds4

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride (PubChem CID 120775605) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
PubChem CID120775605
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-14(23-12-10-17(21)20(2,3)13-23)19(26)22-15-6-8-16(9-7-15)24-11-4-5-18(24)25;/h6-9,14,17H,4-5,10-13,21H2,1-3H3,(H,22,26);1H
InChIKeyOEGPXNBIAOETRY-UHFFFAOYSA-N
XLogP2.62
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
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N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
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CID 120775751
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
2-amino-2-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120666734
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
CID 120775078
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 65225875
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 120774348
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride (CID 120775605) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride is CC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The InChIKey is OEGPXNBIAOETRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.ClH/c1-14(23-12-10-17(21)20(2,3)13-23)19(26)22-15-6-8-16(9-7-15)24-11-4-5-18(24)25;/h6-9,14,17H,4-5,10-13,21H2,1-3H3,(H,22,26);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120775605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).