(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide

C25H27Cl2N5O — CID 134821715

IUPAC(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide
SMILESN[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)NC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C25H27Cl2N5O/c26-17-1-3-23-20(10-17)15(12-29-23)9-22(28)25(33)31-19-5-7-32(8-6-19)14-16-13-30-24-4-2-18(27)11-21(16)24/h1-4,10-13,19,22,29-30H,5-9,14,28H2,(H,31,33)/t22-/m0/s1
InChIKeyBJPLGTMYTDRCKD-QFIPXVFZSA-N
MW484.43 g/mol
LogP4.61
Rot. Bonds6

About (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide

(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 134821715) has the molecular formula C25H27Cl2N5O and a molecular weight of 484.43 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide
PubChem CID134821715
Molecular FormulaC25H27Cl2N5O
Molecular Weight484.43 g/mol
Exact Mass483.16
IUPAC Name(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide
SMILESN[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)NC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C25H27Cl2N5O/c26-17-1-3-23-20(10-17)15(12-29-23)9-22(28)25(33)31-19-5-7-32(8-6-19)14-16-13-30-24-4-2-18(27)11-21(16)24/h1-4,10-13,19,22,29-30H,5-9,14,28H2,(H,31,33)/t22-/m0/s1
InChIKeyBJPLGTMYTDRCKD-QFIPXVFZSA-N
XLogP4.61
TPSA89.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide (CID 134821715) is (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide is N[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)NC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is BJPLGTMYTDRCKD-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27Cl2N5O/c26-17-1-3-23-20(10-17)15(12-29-23)9-22(28)25(33)31-19-5-7-32(8-6-19)14-16-13-30-24-4-2-18(27)11-21(16)24/h1-4,10-13,19,22,29-30H,5-9,14,28H2,(H,31,33)/t22-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide?
(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 484.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)-N-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 134821715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).