[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone

C19H28N4O2 — CID 97333243

IUPAC[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)N1CCCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15-5-3-6-16(2)23(15)19(25)22-12-4-11-21(13-14-22)18(24)17-7-9-20-10-8-17/h7-10,15-16H,3-6,11-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyYODXZLYPDSVJFU-HZPDHXFCSA-N
MW344.46 g/mol
LogP2.61
Rot. Bonds1

About [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone

[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone (PubChem CID 97333243) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
PubChem CID97333243
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)N1CCCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15-5-3-6-16(2)23(15)19(25)22-12-4-11-21(13-14-22)18(24)17-7-9-20-10-8-17/h7-10,15-16H,3-6,11-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyYODXZLYPDSVJFU-HZPDHXFCSA-N
XLogP2.61
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 31868528
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
methyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 84549542
[4-(2,6-dichloropyridine-4-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 78878529
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
2-chloro-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 167785609
pyridin-4-yl-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545747
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
2-methoxy-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 87035188
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
(4-iodopiperazin-1-yl)-pyridin-4-ylmethanone
CID 164591496

Frequently Asked Questions

What is the IUPAC name of [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone (CID 97333243) is [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone is C[C@@H]1CCC[C@@H](C)N1C(=O)N1CCCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone?
The InChIKey is YODXZLYPDSVJFU-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-5-3-6-16(2)23(15)19(25)22-12-4-11-21(13-14-22)18(24)17-7-9-20-10-8-17/h7-10,15-16H,3-6,11-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone?
[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone has a molecular weight of 344.46 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 97333243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).