7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one

C19H27N5O2 — CID 143761732

IUPAC7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one
SMILESC/C=C\C1=C(CC)NC(=O)N(C2CCN(C(=O)n3ccnc3)CC2)CC1
InChIInChI=1S/C19H27N5O2/c1-3-5-15-6-12-24(18(25)21-17(15)4-2)16-7-10-22(11-8-16)19(26)23-13-9-20-14-23/h3,5,9,13-14,16H,4,6-8,10-12H2,1-2H3,(H,21,25)/b5-3-
InChIKeyGHNJRMGPSRPKGK-HYXAFXHYSA-N
MW357.46 g/mol
LogP2.97
Rot. Bonds3

About 7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one

7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one (PubChem CID 143761732) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one.

Molecular Properties

Compound Name7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one
PubChem CID143761732
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one
SMILESC/C=C\C1=C(CC)NC(=O)N(C2CCN(C(=O)n3ccnc3)CC2)CC1
InChIInChI=1S/C19H27N5O2/c1-3-5-15-6-12-24(18(25)21-17(15)4-2)16-7-10-22(11-8-16)19(26)23-13-9-20-14-23/h3,5,9,13-14,16H,4,6-8,10-12H2,1-2H3,(H,21,25)/b5-3-
InChIKeyGHNJRMGPSRPKGK-HYXAFXHYSA-N
XLogP2.97
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one?
The IUPAC name of 7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one (CID 143761732) is 7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one.
What is the SMILES notation for 7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one?
The canonical SMILES for 7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one is C/C=C\C1=C(CC)NC(=O)N(C2CCN(C(=O)n3ccnc3)CC2)CC1.
What is the InChIKey of 7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one?
The InChIKey is GHNJRMGPSRPKGK-HYXAFXHYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-5-15-6-12-24(18(25)21-17(15)4-2)16-7-10-22(11-8-16)19(26)23-13-9-20-14-23/h3,5,9,13-14,16H,4,6-8,10-12H2,1-2H3,(H,21,25)/b5-3-.
What are the key properties of 7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one?
7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one has a molecular weight of 357.46 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-6-[(Z)-prop-1-enyl]-4,5-dihydro-1H-1,3-diazepin-2-one is sourced from PubChem (CID 143761732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).