3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

C21H33N5O2 — CID 146130096

IUPAC3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESCCC1CN(C)c2ccccc2CN1C(=O)NC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C21H33N5O2/c1-4-18-14-24(3)19-8-6-5-7-16(19)13-26(18)21(28)23-17-9-11-25(12-10-17)15-20(27)22-2/h5-8,17-18H,4,9-15H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyOOYFXIWCGDGGHJ-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.64
Rot. Bonds4

About 3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (PubChem CID 146130096) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
PubChem CID146130096
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESCCC1CN(C)c2ccccc2CN1C(=O)NC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C21H33N5O2/c1-4-18-14-24(3)19-8-6-5-7-16(19)13-26(18)21(28)23-17-9-11-25(12-10-17)15-20(27)22-2/h5-8,17-18H,4,9-15H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyOOYFXIWCGDGGHJ-UHFFFAOYSA-N
XLogP1.64
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-cyclopropyl-3-[2-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]urea
CID 97053886
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 136578180
2-(4-cyclopropyltriazol-1-yl)-1-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone
CID 97097760
(4S)-4-[(3S)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]-1-methylpiperidin-2-one
CID 124777577
3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 139013057
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(oxolan-2-yl)methanone
CID 71972375
(5R)-5-(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)pyrrolidin-2-one
CID 71921911
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(4-methylmorpholin-2-yl)methanone
CID 71921912
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119853482
3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 138998247
[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 96537687
N-[6-(dimethylamino)-2-pyridinyl]-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 167961614

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (CID 146130096) is 3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is CCC1CN(C)c2ccccc2CN1C(=O)NC1CCN(CC(=O)NC)CC1.
What is the InChIKey of 3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The InChIKey is OOYFXIWCGDGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-4-18-14-24(3)19-8-6-5-7-16(19)13-26(18)21(28)23-17-9-11-25(12-10-17)15-20(27)22-2/h5-8,17-18H,4,9-15H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of 3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is sourced from PubChem (CID 146130096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).