cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C16H21ClN4O3 — CID 167817663

IUPACcis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CCC[C@H]1C(=O)O)C1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C16H21ClN4O3/c17-13-6-7-14(20-19-13)21-8-2-3-10(9-21)15(22)18-12-5-1-4-11(12)16(23)24/h6-7,10-12H,1-5,8-9H2,(H,18,22)(H,23,24)/t10?,11-,12+/m1/s1
InChIKeyOYUMGVXRBUZBSP-SAIIYOCFSA-N
MW352.82 g/mol
LogP1.72
Rot. Bonds4

About cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 167817663) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID167817663
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Namecis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CCC[C@H]1C(=O)O)C1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C16H21ClN4O3/c17-13-6-7-14(20-19-13)21-8-2-3-10(9-21)15(22)18-12-5-1-4-11(12)16(23)24/h6-7,10-12H,1-5,8-9H2,(H,18,22)(H,23,24)/t10?,11-,12+/m1/s1
InChIKeyOYUMGVXRBUZBSP-SAIIYOCFSA-N
XLogP1.72
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955070
1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42959099
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
(3S)-1-(6-chloropyridazin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 94162895
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 51983822
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51983348
(3S)-1-(6-chloropyridazin-3-yl)-N-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine-3-carboxamide
CID 51956085
(3S)-1-(6-chloropyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51983817
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 96557217
(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94161179

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 167817663) is cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CCC[C@H]1C(=O)O)C1CCCN(c2ccc(Cl)nn2)C1.
What is the InChIKey of cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is OYUMGVXRBUZBSP-SAIIYOCFSA-N. The full InChI is InChI=1S/C16H21ClN4O3/c17-13-6-7-14(20-19-13)21-8-2-3-10(9-21)15(22)18-12-5-1-4-11(12)16(23)24/h6-7,10-12H,1-5,8-9H2,(H,18,22)(H,23,24)/t10?,11-,12+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 352.82 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 167817663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).