N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide

C23H25N5O3 — CID 73402295

IUPACN-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H25N5O3/c1-16(21(29)25-18-8-3-2-4-9-18)24-23(31)28-13-11-27(12-14-28)22(30)20-15-17-7-5-6-10-19(17)26-20/h2-10,15-16,26H,11-14H2,1H3,(H,24,31)(H,25,29)
InChIKeyARVDXCQURJFECG-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.66
Rot. Bonds4

About N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide

N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide (PubChem CID 73402295) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide
PubChem CID73402295
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H25N5O3/c1-16(21(29)25-18-8-3-2-4-9-18)24-23(31)28-13-11-27(12-14-28)22(30)20-15-17-7-5-6-10-19(17)26-20/h2-10,15-16,26H,11-14H2,1H3,(H,24,31)(H,25,29)
InChIKeyARVDXCQURJFECG-UHFFFAOYSA-N
XLogP2.66
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide (CID 73402295) is N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C(=O)Nc1ccccc1.
What is the InChIKey of N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is ARVDXCQURJFECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16(21(29)25-18-8-3-2-4-9-18)24-23(31)28-13-11-27(12-14-28)22(30)20-15-17-7-5-6-10-19(17)26-20/h2-10,15-16,26H,11-14H2,1H3,(H,24,31)(H,25,29).
What are the key properties of N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide?
N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 73402295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).