1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one

C17H24N4O3 — CID 90739956

IUPAC1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)CCNC(=O)N2C1CCN(C(=O)CN)CC1
InChIInChI=1S/C17H24N4O3/c1-24-14-2-3-15-12(10-14)4-7-19-17(23)21(15)13-5-8-20(9-6-13)16(22)11-18/h2-3,10,13H,4-9,11,18H2,1H3,(H,19,23)
InChIKeyAOLGHLHRZUBLLJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.72
Rot. Bonds3

About 1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one

1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one (PubChem CID 90739956) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one.

Molecular Properties

Compound Name1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one
PubChem CID90739956
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)CCNC(=O)N2C1CCN(C(=O)CN)CC1
InChIInChI=1S/C17H24N4O3/c1-24-14-2-3-15-12(10-14)4-7-19-17(23)21(15)13-5-8-20(9-6-13)16(22)11-18/h2-3,10,13H,4-9,11,18H2,1H3,(H,19,23)
InChIKeyAOLGHLHRZUBLLJ-UHFFFAOYSA-N
XLogP0.72
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one with MolForge

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Related Compounds

2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
5-methoxy-1-piperidin-4-yl-3H-indol-2-one
CID 84632312
3-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160207
9-(cyclopropanecarbonyl)-13-methoxy-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 163042303
(6S)-13-methoxy-9-(3-methylbutanoyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 75529206
2-amino-1-(7-methoxy-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)ethanone
CID 84628159
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119760457
ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate
CID 10815061
6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
CID 86072442
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119760453
3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160255

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one?
The IUPAC name of 1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one (CID 90739956) is 1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one.
What is the SMILES notation for 1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one?
The canonical SMILES for 1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one is COc1ccc2c(c1)CCNC(=O)N2C1CCN(C(=O)CN)CC1.
What is the InChIKey of 1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one?
The InChIKey is AOLGHLHRZUBLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-24-14-2-3-15-12(10-14)4-7-19-17(23)21(15)13-5-8-20(9-6-13)16(22)11-18/h2-3,10,13H,4-9,11,18H2,1H3,(H,19,23).
What are the key properties of 1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one?
1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one has a molecular weight of 332.40 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoacetyl)piperidin-4-yl]-7-methoxy-4,5-dihydro-3H-1,3-benzodiazepin-2-one is sourced from PubChem (CID 90739956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).