N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H30ClN3O2 — CID 119694525

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CCNCC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-15(17-8-10-21-11-9-17)13-19(24)22-14-16-4-6-18(7-5-16)23-12-2-3-20(23)25;/h4-7,15,17,21H,2-3,8-14H2,1H3,(H,22,24);1H
InChIKeyPPSOHOFABLEPCJ-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.88
Rot. Bonds6

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119694525) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119694525
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CCNCC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-15(17-8-10-21-11-9-17)13-19(24)22-14-16-4-6-18(7-5-16)23-12-2-3-20(23)25;/h4-7,15,17,21H,2-3,8-14H2,1H3,(H,22,24);1H
InChIKeyPPSOHOFABLEPCJ-UHFFFAOYSA-N
XLogP2.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 119866382
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
4-amino-3-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 120587440
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 119699236
2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749231
4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 119694528
2-[(R)-ethylsulfinyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 97228046

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119694525) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CCNCC1.Cl.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is PPSOHOFABLEPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-15(17-8-10-21-11-9-17)13-19(24)22-14-16-4-6-18(7-5-16)23-12-2-3-20(23)25;/h4-7,15,17,21H,2-3,8-14H2,1H3,(H,22,24);1H.
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119694525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).