4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide

C15H19Cl2N3O — CID 97073615

IUPAC4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(N[C@H]2CCc3c(Cl)cc(Cl)cc32)CC1
InChIInChI=1S/C15H19Cl2N3O/c16-9-7-12-11(13(17)8-9)1-2-14(12)19-10-3-5-20(6-4-10)15(18)21/h7-8,10,14,19H,1-6H2,(H2,18,21)/t14-/m0/s1
InChIKeyMRYCYCDTFXISRE-AWEZNQCLSA-N
MW328.24 g/mol
LogP3.11
Rot. Bonds2

About 4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide

4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide (PubChem CID 97073615) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide
PubChem CID97073615
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(N[C@H]2CCc3c(Cl)cc(Cl)cc32)CC1
InChIInChI=1S/C15H19Cl2N3O/c16-9-7-12-11(13(17)8-9)1-2-14(12)19-10-3-5-20(6-4-10)15(18)21/h7-8,10,14,19H,1-6H2,(H2,18,21)/t14-/m0/s1
InChIKeyMRYCYCDTFXISRE-AWEZNQCLSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
CID 53511578
4-[[(5S)-3-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]piperidine-1-carboxamide
CID 97232017
(8aS)-7-[(4-chloro-2-methylphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 99639144
N-(2,4-dichloro-6-methylbenzyl)-N'-(piperidin-4-ylmethyl)urea
CID 121513139
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051269
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051272
1-(6-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051428
1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051434
1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051435
1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051590
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(4-fluorophenyl)methyl]urea
CID 60577286
N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-(2,2-difluoroethyl)piperazine-1-carboxamide
CID 86947468

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide (CID 97073615) is 4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide is NC(=O)N1CCC(N[C@H]2CCc3c(Cl)cc(Cl)cc32)CC1.
What is the InChIKey of 4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide?
The InChIKey is MRYCYCDTFXISRE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c16-9-7-12-11(13(17)8-9)1-2-14(12)19-10-3-5-20(6-4-10)15(18)21/h7-8,10,14,19H,1-6H2,(H2,18,21)/t14-/m0/s1.
What are the key properties of 4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide?
4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide has a molecular weight of 328.24 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 97073615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).