[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone

C19H25N5O — CID 95332115

IUPAC[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)nc2)C1
InChIInChI=1S/C19H25N5O/c1-15-20-8-12-24(15)17-5-4-11-23(14-17)19(25)16-6-7-18(21-13-16)22-9-2-3-10-22/h6-8,12-13,17H,2-5,9-11,14H2,1H3/t17-/m0/s1
InChIKeyOQEMDDYNIHAEDR-KRWDZBQOSA-N
MW339.44 g/mol
LogP2.66
Rot. Bonds3

About [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone

[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone (PubChem CID 95332115) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
PubChem CID95332115
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)nc2)C1
InChIInChI=1S/C19H25N5O/c1-15-20-8-12-24(15)17-5-4-11-23(14-17)19(25)16-6-7-18(21-13-16)22-9-2-3-10-22/h6-8,12-13,17H,2-5,9-11,14H2,1H3/t17-/m0/s1
InChIKeyOQEMDDYNIHAEDR-KRWDZBQOSA-N
XLogP2.66
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

[6-(dimethylamino)-3-pyridinyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343515
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
[4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343180
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119378111
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95334679
[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 71926727
(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326513
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229
(3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109160628
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone
CID 95606419
1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 95606434

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone (CID 95332115) is [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone is Cc1nccn1[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)nc2)C1.
What is the InChIKey of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone?
The InChIKey is OQEMDDYNIHAEDR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-20-8-12-24(15)17-5-4-11-23(14-17)19(25)16-6-7-18(21-13-16)22-9-2-3-10-22/h6-8,12-13,17H,2-5,9-11,14H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone?
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 95332115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).