(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone

C17H25N3O2 — CID 70747258

IUPAC(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
SMILESNC1CCCCN(C(=O)c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C17H25N3O2/c18-14-5-3-4-8-20(13-14)17(21)15-6-1-2-7-16(15)19-9-11-22-12-10-19/h1-2,6-7,14H,3-5,8-13,18H2
InChIKeyHBQMABUSEXFIOT-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.48
Rot. Bonds2

About (3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone

(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone (PubChem CID 70747258) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
PubChem CID70747258
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
SMILESNC1CCCCN(C(=O)c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C17H25N3O2/c18-14-5-3-4-8-20(13-14)17(21)15-6-1-2-7-16(15)19-9-11-22-12-10-19/h1-2,6-7,14H,3-5,8-13,18H2
InChIKeyHBQMABUSEXFIOT-UHFFFAOYSA-N
XLogP1.48
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 166621358
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 42286883
(2-morpholin-4-ylphenyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131916218
[(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 138016150
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95321116
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351

Frequently Asked Questions

What is the IUPAC name of (3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of (3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone (CID 70747258) is (3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for (3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for (3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone is NC1CCCCN(C(=O)c2ccccc2N2CCOCC2)C1.
What is the InChIKey of (3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is HBQMABUSEXFIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-14-5-3-4-8-20(13-14)17(21)15-6-1-2-7-16(15)19-9-11-22-12-10-19/h1-2,6-7,14H,3-5,8-13,18H2.
What are the key properties of (3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone?
(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 303.41 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 70747258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).