(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

C19H20ClN3O2 — CID 96577008

IUPAC(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1ccnc1[C@H]1CCCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1
InChIInChI=1S/C19H20ClN3O2/c1-22-8-6-21-18(22)13-3-2-7-23(11-13)19(24)15-9-14-10-16(20)4-5-17(14)25-12-15/h4-6,8-10,13H,2-3,7,11-12H2,1H3/t13-/m0/s1
InChIKeyORHYHUCCCLGFDP-ZDUSSCGKSA-N
MW357.84 g/mol
LogP3.26
Rot. Bonds2

About (6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 96577008) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is (6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID96577008
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1ccnc1[C@H]1CCCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1
InChIInChI=1S/C19H20ClN3O2/c1-22-8-6-21-18(22)13-3-2-7-23(11-13)19(24)15-9-14-10-16(20)4-5-17(14)25-12-15/h4-6,8-10,13H,2-3,7,11-12H2,1H3/t13-/m0/s1
InChIKeyORHYHUCCCLGFDP-ZDUSSCGKSA-N
XLogP3.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72877246
(1S,5R)-3-(6-chloro-2H-chromene-3-carbonyl)-3,9-diazabicyclo[3.3.2]decan-10-one
CID 90653520
(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96579758
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616
1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43241864
2-(4-chlorophenyl)sulfanyl-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70756196
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
(4-chloro-2-methylphenyl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97268879
N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 96577296

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (CID 96577008) is (6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is Cn1ccnc1[C@H]1CCCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1.
What is the InChIKey of (6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ORHYHUCCCLGFDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-22-8-6-21-18(22)13-3-2-7-23(11-13)19(24)15-9-14-10-16(20)4-5-17(14)25-12-15/h4-6,8-10,13H,2-3,7,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 357.84 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 96577008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).