5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone

C15H17N3O — CID 167065383

IUPAC5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)N=CC=NC2)N1CCCCC1
InChIInChI=1S/C15H17N3O/c19-15(18-8-2-1-3-9-18)12-4-5-13-11-16-6-7-17-14(13)10-12/h4-7,10H,1-3,8-9,11H2
InChIKeyBFHFSNIWWBEGTE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.60
Rot. Bonds1

About 5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone

5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone (PubChem CID 167065383) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone
PubChem CID167065383
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)N=CC=NC2)N1CCCCC1
InChIInChI=1S/C15H17N3O/c19-15(18-8-2-1-3-9-18)12-4-5-13-11-16-6-7-17-14(13)10-12/h4-7,10H,1-3,8-9,11H2
InChIKeyBFHFSNIWWBEGTE-UHFFFAOYSA-N
XLogP2.60
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone
CID 145472029
(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone
CID 53007694
(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525

Frequently Asked Questions

What is the IUPAC name of 5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone?
The IUPAC name of 5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone (CID 167065383) is 5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone?
The canonical SMILES for 5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone is O=C(c1ccc2c(c1)N=CC=NC2)N1CCCCC1.
What is the InChIKey of 5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone?
The InChIKey is BFHFSNIWWBEGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(18-8-2-1-3-9-18)12-4-5-13-11-16-6-7-17-14(13)10-12/h4-7,10H,1-3,8-9,11H2.
What are the key properties of 5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone?
5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 167065383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).