N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide

C29H32N2O4 — CID 160937779

IUPACN-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCC(=O)NC2)c(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C29H32N2O4/c1-21-12-13-24(16-17-30-29(33)25-14-15-26(32)31-18-25)28(35-20-23-10-6-3-7-11-23)27(21)34-19-22-8-4-2-5-9-22/h2-13,25H,14-20H2,1H3,(H,30,33)(H,31,32)
InChIKeyVYMARLBMLJWENK-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.34
Rot. Bonds10

About N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide

N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 160937779) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID160937779
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC NameN-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCC(=O)NC2)c(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C29H32N2O4/c1-21-12-13-24(16-17-30-29(33)25-14-15-26(32)31-18-25)28(35-20-23-10-6-3-7-11-23)27(21)34-19-22-8-4-2-5-9-22/h2-13,25H,14-20H2,1H3,(H,30,33)(H,31,32)
InChIKeyVYMARLBMLJWENK-UHFFFAOYSA-N
XLogP4.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide
CID 95286558
N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 73419587
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 78924914
(3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide
CID 95160498
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
N-[(3-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 82748805
N-[3-(dimethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112728984
N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
CID 112728621
N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide
CID 78978293
N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 112728690

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide (CID 160937779) is N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(CCNC(=O)C2CCC(=O)NC2)c(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is VYMARLBMLJWENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-21-12-13-24(16-17-30-29(33)25-14-15-26(32)31-18-25)28(35-20-23-10-6-3-7-11-23)27(21)34-19-22-8-4-2-5-9-22/h2-13,25H,14-20H2,1H3,(H,30,33)(H,31,32).
What are the key properties of N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide?
N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-2,3-bis(phenylmethoxy)phenyl]ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 160937779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).