(7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one

C20H29N3O2 — CID 97092180

IUPAC(7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCNC(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H29N3O2/c1-15-7-6-8-16(2)23(15)20(25)14-22-12-11-21-19(24)13-18(22)17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3,(H,21,24)/t15-,16+,18-/m1/s1
InChIKeyJCPWSRNOMFUEPC-SOLBZPMBSA-N
MW343.47 g/mol
LogP2.34
Rot. Bonds3

About (7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one

(7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one (PubChem CID 97092180) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one
PubChem CID97092180
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCNC(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H29N3O2/c1-15-7-6-8-16(2)23(15)20(25)14-22-12-11-21-19(24)13-18(22)17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3,(H,21,24)/t15-,16+,18-/m1/s1
InChIKeyJCPWSRNOMFUEPC-SOLBZPMBSA-N
XLogP2.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]propanoate
CID 97062578
N-[[(2S)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide
CID 97081489
N-[[(2R)-oxolan-2-yl]methyl]-2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide
CID 124761822
N-[[(2S)-oxolan-2-yl]methyl]-2-[(7S)-5-oxo-7-phenyl-1,4-diazepan-1-yl]acetamide
CID 97081488
7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one
CID 119930634
1-but-2-ynyl-7-phenyl-1,4-diazepan-5-one
CID 122137393
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 51924712
(3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 51924714
2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid
CID 164752640
1-[(2-chloro-3-hydroxyphenyl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 167925140
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 47014126
methyl 2-[(2R)-1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 39975651

Frequently Asked Questions

What is the IUPAC name of (7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one?
The IUPAC name of (7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one (CID 97092180) is (7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one.
What is the SMILES notation for (7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one?
The canonical SMILES for (7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one is C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCNC(=O)C[C@@H]1c1ccccc1.
What is the InChIKey of (7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one?
The InChIKey is JCPWSRNOMFUEPC-SOLBZPMBSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-7-6-8-16(2)23(15)20(25)14-22-12-11-21-19(24)13-18(22)17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3,(H,21,24)/t15-,16+,18-/m1/s1.
What are the key properties of (7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one?
(7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one has a molecular weight of 343.47 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one is sourced from PubChem (CID 97092180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).