[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone

C19H30N4O2 — CID 134707551

IUPAC[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
SMILESCOc1ccc(CN2CCCN(C(=O)C3CCCN(C)C3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-21-8-3-5-17(15-21)19(24)23-10-4-9-22(11-12-23)14-16-6-7-18(25-2)20-13-16/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3
InChIKeyOQURXXXRPRRQRK-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.47
Rot. Bonds4

About [4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone

[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone (PubChem CID 134707551) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
PubChem CID134707551
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
SMILESCOc1ccc(CN2CCCN(C(=O)C3CCCN(C)C3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-21-8-3-5-17(15-21)19(24)23-10-4-9-22(11-12-23)14-16-6-7-18(25-2)20-13-16/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3
InChIKeyOQURXXXRPRRQRK-UHFFFAOYSA-N
XLogP1.47
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone with MolForge

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Related Compounds

(2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704250
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 138808676
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 53185140
(3S)-3-[4-[(6-chloro-3-pyridinyl)methyl]piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 97201196
(1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134708975
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
CID 662630
2-[[4-(1-methylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 137334393
1-[(3R)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9474993
[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 134697790

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone?
The IUPAC name of [4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone (CID 134707551) is [4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone?
The canonical SMILES for [4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone is COc1ccc(CN2CCCN(C(=O)C3CCCN(C)C3)CC2)cn1.
What is the InChIKey of [4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone?
The InChIKey is OQURXXXRPRRQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21-8-3-5-17(15-21)19(24)23-10-4-9-22(11-12-23)14-16-6-7-18(25-2)20-13-16/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3.
What are the key properties of [4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone?
[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 134707551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).