N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide

C19H25ClN4O3 — CID 118946467

IUPACN-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(cc1Cl)NC(=O)C2)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C19H25ClN4O3/c1-10(21)19(27)24-5-3-12(4-6-24)11(2)22-18(26)14-7-13-8-17(25)23-16(13)9-15(14)20/h7,9-12H,3-6,8,21H2,1-2H3,(H,22,26)(H,23,25)/t10-,11?/m0/s1
InChIKeyLOMVGSGLUXBGLH-VUWPPUDQSA-N
MW392.89 g/mol
LogP1.54
Rot. Bonds4

About N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide

N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 118946467) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID118946467
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC NameN-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(cc1Cl)NC(=O)C2)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C19H25ClN4O3/c1-10(21)19(27)24-5-3-12(4-6-24)11(2)22-18(26)14-7-13-8-17(25)23-16(13)9-15(14)20/h7,9-12H,3-6,8,21H2,1-2H3,(H,22,26)(H,23,25)/t10-,11?/m0/s1
InChIKeyLOMVGSGLUXBGLH-VUWPPUDQSA-N
XLogP1.54
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide (CID 118946467) is N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide is CC(NC(=O)c1cc2c(cc1Cl)NC(=O)C2)C1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is LOMVGSGLUXBGLH-VUWPPUDQSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-10(21)19(27)24-5-3-12(4-6-24)11(2)22-18(26)14-7-13-8-17(25)23-16(13)9-15(14)20/h7,9-12H,3-6,8,21H2,1-2H3,(H,22,26)(H,23,25)/t10-,11?/m0/s1.
What are the key properties of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 118946467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).