1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea

C25H29N5O3 — CID 55932362

IUPAC1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C25H29N5O3/c1-17(2)27-25(33)28-20-9-7-18(8-10-20)24(32)30-13-11-29(12-14-30)23(31)15-19-16-26-22-6-4-3-5-21(19)22/h3-10,16-17,26H,11-15H2,1-2H3,(H2,27,28,33)
InChIKeyNIMXYCUMGFZEDA-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.22
Rot. Bonds5

About 1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea

1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea (PubChem CID 55932362) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
PubChem CID55932362
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C25H29N5O3/c1-17(2)27-25(33)28-20-9-7-18(8-10-20)24(32)30-13-11-29(12-14-30)23(31)15-19-16-26-22-6-4-3-5-21(19)22/h3-10,16-17,26H,11-15H2,1-2H3,(H2,27,28,33)
InChIKeyNIMXYCUMGFZEDA-UHFFFAOYSA-N
XLogP3.22
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55851140
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide
CID 110286300
2-(1H-indol-3-yl)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110807857
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 55809686
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea (CID 55932362) is 1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The InChIKey is NIMXYCUMGFZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17(2)27-25(33)28-20-9-7-18(8-10-20)24(32)30-13-11-29(12-14-30)23(31)15-19-16-26-22-6-4-3-5-21(19)22/h3-10,16-17,26H,11-15H2,1-2H3,(H2,27,28,33).
What are the key properties of 1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea has a molecular weight of 447.54 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 55932362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).