5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one

C19H32N4O4 — CID 134703056

IUPAC5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one
SMILESC[C@@H]1CN(C(=O)CN2CCCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H32N4O4/c1-14-11-23(12-15(2)27-14)18(25)13-21-6-3-7-22(9-8-21)19(26)16-4-5-17(24)20-10-16/h14-16H,3-13H2,1-2H3,(H,20,24)/t14-,15+,16?
InChIKeyMAIXNUOSTXTWFY-XYPWUTKMSA-N
MW380.49 g/mol
LogP-0.32
Rot. Bonds3

About 5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one

5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one (PubChem CID 134703056) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one
PubChem CID134703056
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Name5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one
SMILESC[C@@H]1CN(C(=O)CN2CCCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H32N4O4/c1-14-11-23(12-15(2)27-14)18(25)13-21-6-3-7-22(9-8-21)19(26)16-4-5-17(24)20-10-16/h14-16H,3-13H2,1-2H3,(H,20,24)/t14-,15+,16?
InChIKeyMAIXNUOSTXTWFY-XYPWUTKMSA-N
XLogP-0.32
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

2-[4-(6-oxopiperidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 83193169
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 112729081
5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidin-2-one
CID 112732285
5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 135090162
2-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844103
4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78983335
5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one
CID 48690281
2-[4-(piperidine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833931
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one?
The IUPAC name of 5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one (CID 134703056) is 5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one?
The canonical SMILES for 5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one is C[C@@H]1CN(C(=O)CN2CCCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H](C)O1.
What is the InChIKey of 5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one?
The InChIKey is MAIXNUOSTXTWFY-XYPWUTKMSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-14-11-23(12-15(2)27-14)18(25)13-21-6-3-7-22(9-8-21)19(26)16-4-5-17(24)20-10-16/h14-16H,3-13H2,1-2H3,(H,20,24)/t14-,15+,16?.
What are the key properties of 5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one?
5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one has a molecular weight of 380.49 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 134703056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).