1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea

C18H26N4O2 — CID 95598501

IUPAC1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H26N4O2/c1-21-9-7-15(8-10-21)19-18(24)20-16-11-17(23)22(13-16)12-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H2,19,20,24)/t16-/m0/s1
InChIKeyAMHFRNLBYSYCBD-INIZCTEOSA-N
MW330.43 g/mol
LogP1.18
Rot. Bonds4

About 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea

1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea (PubChem CID 95598501) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
PubChem CID95598501
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H26N4O2/c1-21-9-7-15(8-10-21)19-18(24)20-16-11-17(23)22(13-16)12-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H2,19,20,24)/t16-/m0/s1
InChIKeyAMHFRNLBYSYCBD-INIZCTEOSA-N
XLogP1.18
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
N-(1-benzyl-5-oxopyrrolidin-3-yl)thiomorpholine-4-carboxamide
CID 56826197
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584
1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
CID 108876474
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 108876487
2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
CID 108876522
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108876454

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea (CID 95598501) is 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea is CN1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is AMHFRNLBYSYCBD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21-9-7-15(8-10-21)19-18(24)20-16-11-17(23)22(13-16)12-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H2,19,20,24)/t16-/m0/s1.
What are the key properties of 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea?
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 330.43 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 95598501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).