1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea

C19H29FN4O — CID 51093269

IUPAC1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
SMILESCCN1CCC(NC(=O)NCC2CCN(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H29FN4O/c1-2-23-10-8-17(9-11-23)22-19(25)21-13-15-7-12-24(14-15)18-5-3-16(20)4-6-18/h3-6,15,17H,2,7-14H2,1H3,(H2,21,22,25)
InChIKeyJNSFFROCLZPMAH-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.44
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea

1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea (PubChem CID 51093269) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
PubChem CID51093269
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
SMILESCCN1CCC(NC(=O)NCC2CCN(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H29FN4O/c1-2-23-10-8-17(9-11-23)22-19(25)21-13-15-7-12-24(14-15)18-5-3-16(20)4-6-18/h3-6,15,17H,2,7-14H2,1H3,(H2,21,22,25)
InChIKeyJNSFFROCLZPMAH-UHFFFAOYSA-N
XLogP2.44
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 52537970
1-cycloheptyl-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 71886089
1-(1-benzylpiperidin-4-yl)-3-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 95144958
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95141495
1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 125447400
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 98786570
3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962805
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51127812
1-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 52535068
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 51125795
1-(1-cyclopropylpiperidin-4-yl)-3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 51126571
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618670

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea (CID 51093269) is 1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea is CCN1CCC(NC(=O)NCC2CCN(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is JNSFFROCLZPMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-2-23-10-8-17(9-11-23)22-19(25)21-13-15-7-12-24(14-15)18-5-3-16(20)4-6-18/h3-6,15,17H,2,7-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 348.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 51093269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).