N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

C19H23ClN2O2 — CID 51092205

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CCc2cc(Cl)ccc21)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H23ClN2O2/c20-15-4-5-16-14(11-15)3-6-17(16)21-18(23)12-7-9-22(10-8-12)19(24)13-1-2-13/h4-5,11-13,17H,1-3,6-10H2,(H,21,23)
InChIKeyULZBVDLSGYHEGE-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.09
Rot. Bonds3

About N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (PubChem CID 51092205) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
PubChem CID51092205
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CCc2cc(Cl)ccc21)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H23ClN2O2/c20-15-4-5-16-14(11-15)3-6-17(16)21-18(23)12-7-9-22(10-8-12)19(24)13-1-2-13/h4-5,11-13,17H,1-3,6-10H2,(H,21,23)
InChIKeyULZBVDLSGYHEGE-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (CID 51092205) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is O=C(NC1CCc2cc(Cl)ccc21)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The InChIKey is ULZBVDLSGYHEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-15-4-5-16-14(11-15)3-6-17(16)21-18(23)12-7-9-22(10-8-12)19(24)13-1-2-13/h4-5,11-13,17H,1-3,6-10H2,(H,21,23).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 51092205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).