1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

C23H29N3O2 — CID 95486329

IUPAC1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(CN)cc3)nc2)C1
InChIInChI=1S/C23H29N3O2/c1-16(2)12-22(27)20-4-3-11-26(15-20)23(28)19-9-10-21(25-14-19)18-7-5-17(13-24)6-8-18/h5-10,14,16,20H,3-4,11-13,15,24H2,1-2H3/t20-/m1/s1
InChIKeyRXURZRAMSXGEOG-HXUWFJFHSA-N
MW379.50 g/mol
LogP3.67
Rot. Bonds6

About 1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (PubChem CID 95486329) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
PubChem CID95486329
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(CN)cc3)nc2)C1
InChIInChI=1S/C23H29N3O2/c1-16(2)12-22(27)20-4-3-11-26(15-20)23(28)19-9-10-21(25-14-19)18-7-5-17(13-24)6-8-18/h5-10,14,16,20H,3-4,11-13,15,24H2,1-2H3/t20-/m1/s1
InChIKeyRXURZRAMSXGEOG-HXUWFJFHSA-N
XLogP3.67
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56759520
1-[(3R)-1-[6-(1,3-benzodioxol-5-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95219285
1-[(3S)-1-[6-(1H-indol-6-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95228280
1-[(3R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 136713648
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229
1-[1-[6-(2-fluorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56738190
1-[1-[6-[2-(hydroxymethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56751009
3-methyl-1-[(3S)-1-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 95206981
1-[(3S)-1-[6-(4-hydroxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95211661
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-[(3R)-1-[6-(2-hydroxyethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95208350

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (CID 95486329) is 1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(CN)cc3)nc2)C1.
What is the InChIKey of 1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The InChIKey is RXURZRAMSXGEOG-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(2)12-22(27)20-4-3-11-26(15-20)23(28)19-9-10-21(25-14-19)18-7-5-17(13-24)6-8-18/h5-10,14,16,20H,3-4,11-13,15,24H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one has a molecular weight of 379.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is sourced from PubChem (CID 95486329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).