3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

C25H38N4O2 — CID 92621749

IUPAC3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCCN1CCC(=O)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1
InChIInChI=1S/C25H38N4O2/c1-20-7-3-6-13-27(20)18-12-24(30)28-16-10-21(11-17-28)23-9-8-22(19-26-23)25(31)29-14-4-2-5-15-29/h8-9,19-21H,2-7,10-18H2,1H3/t20-/m1/s1
InChIKeyWOSXNHAXPLUBTO-HXUWFJFHSA-N
MW426.61 g/mol
LogP3.68
Rot. Bonds5

About 3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 92621749) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
PubChem CID92621749
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCCN1CCC(=O)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1
InChIInChI=1S/C25H38N4O2/c1-20-7-3-6-13-27(20)18-12-24(30)28-16-10-21(11-17-28)23-9-8-22(19-26-23)25(31)29-14-4-2-5-15-29/h8-9,19-21H,2-7,10-18H2,1H3/t20-/m1/s1
InChIKeyWOSXNHAXPLUBTO-HXUWFJFHSA-N
XLogP3.68
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621815
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92623338
N-cyclopentyl-6-[1-[3-(4-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 92621748
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one
CID 110221652
N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 95834350
2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 92621742
[6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 92621736
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 51082370
[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 92621580
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110264319
1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 92621749) is 3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is C[C@@H]1CCCCN1CCC(=O)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1.
What is the InChIKey of 3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The InChIKey is WOSXNHAXPLUBTO-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-20-7-3-6-13-27(20)18-12-24(30)28-16-10-21(11-17-28)23-9-8-22(19-26-23)25(31)29-14-4-2-5-15-29/h8-9,19-21H,2-7,10-18H2,1H3/t20-/m1/s1.
What are the key properties of 3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 426.61 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92621749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).