2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide

C18H25N3O2 — CID 95584813

IUPAC2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)[C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C18H25N3O2/c19-17(22)13-20-9-4-10-21(12-11-20)18(23)16-8-3-6-14-5-1-2-7-15(14)16/h1-2,5,7,16H,3-4,6,8-13H2,(H2,19,22)/t16-/m1/s1
InChIKeyRDKVNXBOGOVJMD-MRXNPFEDSA-N
MW315.42 g/mol
LogP1.13
Rot. Bonds3

About 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide

2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 95584813) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide
PubChem CID95584813
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)[C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C18H25N3O2/c19-17(22)13-20-9-4-10-21(12-11-20)18(23)16-8-3-6-14-5-1-2-7-15(14)16/h1-2,5,7,16H,3-4,6,8-13H2,(H2,19,22)/t16-/m1/s1
InChIKeyRDKVNXBOGOVJMD-MRXNPFEDSA-N
XLogP1.13
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[4-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 94797188
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
(4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 94416624
[4-(bromomethyl)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80678102
(1-oxo-1,4-thiazinan-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95593666
(3-aminoazetidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63755635
(3-aminopiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119381033
[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95157079
(4,4-difluoropiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 139029214
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034354
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
[(3S)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119934524

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide (CID 95584813) is 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide is NC(=O)CN1CCCN(C(=O)[C@@H]2CCCc3ccccc32)CC1.
What is the InChIKey of 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is RDKVNXBOGOVJMD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-17(22)13-20-9-4-10-21(12-11-20)18(23)16-8-3-6-14-5-1-2-7-15(14)16/h1-2,5,7,16H,3-4,6,8-13H2,(H2,19,22)/t16-/m1/s1.
What are the key properties of 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide?
2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 95584813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).