(5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one

C20H32N4O — CID 126803078

IUPAC(5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one
SMILESCC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H32N4O/c1-20(2,3)19-17(7-8-18(25)23-19)22-15-9-12-24(13-10-15)14-16-6-4-5-11-21-16/h4-6,11,15,17,19,22H,7-10,12-14H2,1-3H3,(H,23,25)/t17-,19-/m1/s1
InChIKeyBQCCTCWGLFZXRY-IEBWSBKVSA-N
MW344.50 g/mol
LogP2.33
Rot. Bonds4

About (5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one

(5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one (PubChem CID 126803078) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is (5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one
PubChem CID126803078
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name(5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one
SMILESCC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H32N4O/c1-20(2,3)19-17(7-8-18(25)23-19)22-15-9-12-24(13-10-15)14-16-6-4-5-11-21-16/h4-6,11,15,17,19,22H,7-10,12-14H2,1-3H3,(H,23,25)/t17-,19-/m1/s1
InChIKeyBQCCTCWGLFZXRY-IEBWSBKVSA-N
XLogP2.33
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one with MolForge

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
(5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 92628342
1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol
CID 75383150
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 56708226
methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 124732005
1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 97086567
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
(2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol
CID 97108511
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one?
The IUPAC name of (5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one (CID 126803078) is (5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for (5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one is CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of (5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one?
The InChIKey is BQCCTCWGLFZXRY-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H32N4O/c1-20(2,3)19-17(7-8-18(25)23-19)22-15-9-12-24(13-10-15)14-16-6-4-5-11-21-16/h4-6,11,15,17,19,22H,7-10,12-14H2,1-3H3,(H,23,25)/t17-,19-/m1/s1.
What are the key properties of (5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one?
(5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one has a molecular weight of 344.50 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-tert-butyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 126803078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).