1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

C23H33N3O2 — CID 95215289

IUPAC1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(C3CC3)C3CC3)nc2)C1
InChIInChI=1S/C23H33N3O2/c1-15(2)12-20(27)19-4-3-11-26(14-19)23(28)18-9-10-21(24-13-18)25-22(16-5-6-16)17-7-8-17/h9-10,13,15-17,19,22H,3-8,11-12,14H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyKJZQIHKRCNSUGL-IBGZPJMESA-N
MW383.54 g/mol
LogP4.15
Rot. Bonds8

About 1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (PubChem CID 95215289) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
PubChem CID95215289
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(C3CC3)C3CC3)nc2)C1
InChIInChI=1S/C23H33N3O2/c1-15(2)12-20(27)19-4-3-11-26(14-19)23(28)18-9-10-21(24-13-18)25-22(16-5-6-16)17-7-8-17/h9-10,13,15-17,19,22H,3-8,11-12,14H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyKJZQIHKRCNSUGL-IBGZPJMESA-N
XLogP4.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

1-[(3R)-1-[6-(2-hydroxyethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95208350
3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
CID 95208606
3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56753563
1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56738466
1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56759098
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229
1-[(3S)-1-[6-(furan-3-ylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95557038
3-methyl-1-[1-[6-(2-pyridin-4-ylethylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56755608
3-methyl-1-[1-[6-(2-pyridin-3-ylethylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56759049
3-methyl-1-[(3S)-1-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 95206981
1-[1-[6-(2-fluorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56738190
1-[(3S)-1-[6-(4-hydroxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95211661

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (CID 95215289) is 1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(C3CC3)C3CC3)nc2)C1.
What is the InChIKey of 1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The InChIKey is KJZQIHKRCNSUGL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H33N3O2/c1-15(2)12-20(27)19-4-3-11-26(14-19)23(28)18-9-10-21(24-13-18)25-22(16-5-6-16)17-7-8-17/h9-10,13,15-17,19,22H,3-8,11-12,14H2,1-2H3,(H,24,25)/t19-/m0/s1.
What are the key properties of 1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one has a molecular weight of 383.54 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is sourced from PubChem (CID 95215289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).