1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea

C23H36N4O — CID 51127812

IUPAC1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
SMILESO=C(NCC1CCN(c2ccccc2)C1)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C23H36N4O/c28-23(24-16-20-10-15-27(18-20)22-8-2-1-3-9-22)25-21-11-13-26(14-12-21)17-19-6-4-5-7-19/h1-3,8-9,19-21H,4-7,10-18H2,(H2,24,25,28)
InChIKeyNOEFEDQPFGJKHO-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.47
Rot. Bonds6

About 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea

1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea (PubChem CID 51127812) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
PubChem CID51127812
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
SMILESO=C(NCC1CCN(c2ccccc2)C1)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C23H36N4O/c28-23(24-16-20-10-15-27(18-20)22-8-2-1-3-9-22)25-21-11-13-26(14-12-21)17-19-6-4-5-7-19/h1-3,8-9,19-21H,4-7,10-18H2,(H2,24,25,28)
InChIKeyNOEFEDQPFGJKHO-UHFFFAOYSA-N
XLogP3.47
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95141495
1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
CID 141180797
1-(1-benzylpiperidin-4-yl)-3-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 95144958
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124742813
4-(cyclohexylcarbamoylamino)-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
CID 55652195
1-cycloheptyl-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 71886089
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 51093269
4-[(1-phenylpiperidin-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122012468
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
1-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 52537970
1-(4-hydroxycyclohexyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300487

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea (CID 51127812) is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea is O=C(NCC1CCN(c2ccccc2)C1)NC1CCN(CC2CCCC2)CC1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?
The InChIKey is NOEFEDQPFGJKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c28-23(24-16-20-10-15-27(18-20)22-8-2-1-3-9-22)25-21-11-13-26(14-12-21)17-19-6-4-5-7-19/h1-3,8-9,19-21H,4-7,10-18H2,(H2,24,25,28).
What are the key properties of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea has a molecular weight of 384.57 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 51127812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).