N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide

C25H30ClN5O2 — CID 15338224

IUPACN-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide
SMILESCN1CCN(CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C25H30ClN5O2/c1-30-10-12-31(13-11-30)17-24(32)29-23(14-19-16-27-22-9-5-3-7-20(19)22)25(33)28-15-18-6-2-4-8-21(18)26/h2-9,16,23,27H,10-15,17H2,1H3,(H,28,33)(H,29,32)
InChIKeyOBBHREKBJYWKLZ-UHFFFAOYSA-N
MW468.00 g/mol
LogP2.41
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide

N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide (PubChem CID 15338224) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide
PubChem CID15338224
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide
SMILESCN1CCN(CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C25H30ClN5O2/c1-30-10-12-31(13-11-30)17-24(32)29-23(14-19-16-27-22-9-5-3-7-20(19)22)25(33)28-15-18-6-2-4-8-21(18)26/h2-9,16,23,27H,10-15,17H2,1H3,(H,28,33)(H,29,32)
InChIKeyOBBHREKBJYWKLZ-UHFFFAOYSA-N
XLogP2.41
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylphenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 19074794
(2R)-2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 10918400
3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 19074759
(2S)-2-acetamido-N-[(2,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 35806397
N-[(2-chlorophenyl)methyl]-2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanamide
CID 19074519
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(3,4-diethylphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19417974
benzyl N-[(2S)-1-[(2-chlorophenyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 24537097
2-chloro-N-[1-[(2,5-dimethylfuran-3-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 86951550
digallium;tris(2-[4-[2-[[1-[[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxo(1,2,3-13C3)propan-2-yl](15N)amino]-2-oxoethyl]-7-(carboxylatomethyl)-1,4,7-triazonan-1-yl]acetate)
CID 175947486
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257
2-[4-[2-[[2-[[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 175947481
2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 78783619

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide (CID 15338224) is N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide is CN1CCN(CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide?
The InChIKey is OBBHREKBJYWKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-30-10-12-31(13-11-30)17-24(32)29-23(14-19-16-27-22-9-5-3-7-20(19)22)25(33)28-15-18-6-2-4-8-21(18)26/h2-9,16,23,27H,10-15,17H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide?
N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide has a molecular weight of 468.00 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 15338224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).