N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

C32H42ClN5O2 — CID 15253734

IUPACN-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1Cl)CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C32H42ClN5O2/c1-24(39)38(21-25-9-3-5-11-30(25)33)22-27(19-26-20-34-31-12-6-4-10-29(26)31)35-32(40)23-36-17-13-28(14-18-36)37-15-7-2-8-16-37/h3-6,9-12,20,27-28,34H,2,7-8,13-19,21-23H2,1H3,(H,35,40)
InChIKeyCBCYNWHALJOBSG-UHFFFAOYSA-N
MW564.17 g/mol
LogP4.85
Rot. Bonds10

About N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (PubChem CID 15253734) has the molecular formula C32H42ClN5O2 and a molecular weight of 564.17 g/mol. Its IUPAC name is N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
PubChem CID15253734
Molecular FormulaC32H42ClN5O2
Molecular Weight564.17 g/mol
Exact Mass563.30
IUPAC NameN-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1Cl)CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C32H42ClN5O2/c1-24(39)38(21-25-9-3-5-11-30(25)33)22-27(19-26-20-34-31-12-6-4-10-29(26)31)35-32(40)23-36-17-13-28(14-18-36)37-15-7-2-8-16-37/h3-6,9-12,20,27-28,34H,2,7-8,13-19,21-23H2,1H3,(H,35,40)
InChIKeyCBCYNWHALJOBSG-UHFFFAOYSA-N
XLogP4.85
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.17
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (CID 15253734) is N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is CC(=O)N(Cc1ccccc1Cl)CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The InChIKey is CBCYNWHALJOBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42ClN5O2/c1-24(39)38(21-25-9-3-5-11-30(25)33)22-27(19-26-20-34-31-12-6-4-10-29(26)31)35-32(40)23-36-17-13-28(14-18-36)37-15-7-2-8-16-37/h3-6,9-12,20,27-28,34H,2,7-8,13-19,21-23H2,1H3,(H,35,40).
What are the key properties of N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide has a molecular weight of 564.17 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 15253734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).