(4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone

C20H24N2O — CID 166287115

IUPAC(4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone
SMILESCN1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)CC1
InChIInChI=1S/C20H24N2O/c1-21-10-5-11-22(13-12-21)20(23)19-14-18(19)17-9-4-7-15-6-2-3-8-16(15)17/h2-4,6-9,18-19H,5,10-14H2,1H3/t18-,19+/m0/s1
InChIKeyFTYYVTSXFZHKNB-RBUKOAKNSA-N
MW308.42 g/mol
LogP3.11
Rot. Bonds2

About (4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone

(4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone (PubChem CID 166287115) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone
PubChem CID166287115
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone
SMILESCN1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)CC1
InChIInChI=1S/C20H24N2O/c1-21-10-5-11-22(13-12-21)20(23)19-14-18(19)17-9-4-7-15-6-2-3-8-16(15)17/h2-4,6-9,18-19H,5,10-14H2,1H3/t18-,19+/m0/s1
InChIKeyFTYYVTSXFZHKNB-RBUKOAKNSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 97093023
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 97025073
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-naphthalen-1-ylcyclopropyl)methanone
CID 71878166
(3S)-3-methyl-4-[(1R,2R)-2-naphthalen-1-ylcyclopropanecarbonyl]-1,4-diazepan-2-one
CID 166287330
4-fluoro-N-(4-methylpiperazin-1-yl)-6-naphthalen-1-ylcyclohex-2-ene-1-carboxamide
CID 155102372
(4-methyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
CID 17164721
(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681285
2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896738
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51896777
4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78835890
1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 95620484
(4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone
CID 59617429

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone (CID 166287115) is (4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone is CN1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)CC1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone?
The InChIKey is FTYYVTSXFZHKNB-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H24N2O/c1-21-10-5-11-22(13-12-21)20(23)19-14-18(19)17-9-4-7-15-6-2-3-8-16(15)17/h2-4,6-9,18-19H,5,10-14H2,1H3/t18-,19+/m0/s1.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone?
(4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone has a molecular weight of 308.42 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone is sourced from PubChem (CID 166287115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).