3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid

C25H33N5O3 — CID 68799960

IUPAC3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid
SMILESCC(CCNC(=O)O)N1CCC(N2C(=O)N(c3ccccc3N)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C25H33N5O3/c1-18(11-14-27-24(31)32)28-15-12-20(13-16-28)30-23(19-7-3-2-4-8-19)17-29(25(30)33)22-10-6-5-9-21(22)26/h2-10,18,20,23,27H,11-17,26H2,1H3,(H,31,32)/t18?,23-/m0/s1
InChIKeyDWUYCKVTWIMKML-IMMUGOHXSA-N
MW451.57 g/mol
LogP3.76
Rot. Bonds7

About 3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid

3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid (PubChem CID 68799960) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid.

Molecular Properties

Compound Name3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid
PubChem CID68799960
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid
SMILESCC(CCNC(=O)O)N1CCC(N2C(=O)N(c3ccccc3N)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C25H33N5O3/c1-18(11-14-27-24(31)32)28-15-12-20(13-16-28)30-23(19-7-3-2-4-8-19)17-29(25(30)33)22-10-6-5-9-21(22)26/h2-10,18,20,23,27H,11-17,26H2,1H3,(H,31,32)/t18?,23-/m0/s1
InChIKeyDWUYCKVTWIMKML-IMMUGOHXSA-N
XLogP3.76
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid?
The IUPAC name of 3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid (CID 68799960) is 3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid.
What is the SMILES notation for 3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid?
The canonical SMILES for 3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid is CC(CCNC(=O)O)N1CCC(N2C(=O)N(c3ccccc3N)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid?
The InChIKey is DWUYCKVTWIMKML-IMMUGOHXSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-18(11-14-27-24(31)32)28-15-12-20(13-16-28)30-23(19-7-3-2-4-8-19)17-29(25(30)33)22-10-6-5-9-21(22)26/h2-10,18,20,23,27H,11-17,26H2,1H3,(H,31,32)/t18?,23-/m0/s1.
What are the key properties of 3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid?
3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid has a molecular weight of 451.57 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butylcarbamic acid is sourced from PubChem (CID 68799960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).