phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone

C22H25N3O2 — CID 72845735

IUPACphenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
SMILESO=C(c1ccccc1)C1CCCN(c2cc(C(=O)N3CCCC3)ccn2)C1
InChIInChI=1S/C22H25N3O2/c26-21(17-7-2-1-3-8-17)19-9-6-14-25(16-19)20-15-18(10-11-23-20)22(27)24-12-4-5-13-24/h1-3,7-8,10-11,15,19H,4-6,9,12-14,16H2
InChIKeyHCVGQZKKGNDJRO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.42
Rot. Bonds4

About phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone

phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone (PubChem CID 72845735) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
PubChem CID72845735
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Namephenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
SMILESO=C(c1ccccc1)C1CCCN(c2cc(C(=O)N3CCCC3)ccn2)C1
InChIInChI=1S/C22H25N3O2/c26-21(17-7-2-1-3-8-17)19-9-6-14-25(16-19)20-15-18(10-11-23-20)22(27)24-12-4-5-13-24/h1-3,7-8,10-11,15,19H,4-6,9,12-14,16H2
InChIKeyHCVGQZKKGNDJRO-UHFFFAOYSA-N
XLogP3.42
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 135117191
[1-[2-(tetrazol-1-yl)pyridine-4-carbonyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45173729
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125009158
4-(1-benzoylpiperidine-3-carbonyl)benzonitrile
CID 142430135
[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 133138711
[2-(2-methylpiperidin-1-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166191035
[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-3-yl]-phenylmethanone
CID 70723601

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone?
The IUPAC name of phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone (CID 72845735) is phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone.
What is the SMILES notation for phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone?
The canonical SMILES for phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone is O=C(c1ccccc1)C1CCCN(c2cc(C(=O)N3CCCC3)ccn2)C1.
What is the InChIKey of phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone?
The InChIKey is HCVGQZKKGNDJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(17-7-2-1-3-8-17)19-9-6-14-25(16-19)20-15-18(10-11-23-20)22(27)24-12-4-5-13-24/h1-3,7-8,10-11,15,19H,4-6,9,12-14,16H2.
What are the key properties of phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone?
phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone is sourced from PubChem (CID 72845735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).