1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

C22H33N3O2 — CID 56759098

IUPAC1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCCC1(CNc2ccc(C(=O)N3CCCC(C(=O)CC(C)C)C3)cn2)CC1
InChIInChI=1S/C22H33N3O2/c1-4-22(9-10-22)15-24-20-8-7-17(13-23-20)21(27)25-11-5-6-18(14-25)19(26)12-16(2)3/h7-8,13,16,18H,4-6,9-12,14-15H2,1-3H3,(H,23,24)
InChIKeyFLVMNTRBOSRAJH-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.15
Rot. Bonds8

About 1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (PubChem CID 56759098) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
PubChem CID56759098
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCCC1(CNc2ccc(C(=O)N3CCCC(C(=O)CC(C)C)C3)cn2)CC1
InChIInChI=1S/C22H33N3O2/c1-4-22(9-10-22)15-24-20-8-7-17(13-23-20)21(27)25-11-5-6-18(14-25)19(26)12-16(2)3/h7-8,13,16,18H,4-6,9-12,14-15H2,1-3H3,(H,23,24)
InChIKeyFLVMNTRBOSRAJH-UHFFFAOYSA-N
XLogP4.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[6-[(1-ethylcyclopropyl)methylamino]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
1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56738466
3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
CID 95208606
1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95215289
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-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56753563
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229
3-methyl-1-[1-[6-(2-pyridin-3-ylethylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56759049
1-[1-[6-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56744128
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (CID 56759098) is 1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is CCC1(CNc2ccc(C(=O)N3CCCC(C(=O)CC(C)C)C3)cn2)CC1.
What is the InChIKey of 1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The InChIKey is FLVMNTRBOSRAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-4-22(9-10-22)15-24-20-8-7-17(13-23-20)21(27)25-11-5-6-18(14-25)19(26)12-16(2)3/h7-8,13,16,18H,4-6,9-12,14-15H2,1-3H3,(H,23,24).
What are the key properties of 1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one has a molecular weight of 371.53 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-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is sourced from PubChem (CID 56759098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).