(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide

C19H28N2O3 — CID 95584894

IUPAC(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CCCCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1
InChIInChI=1S/C19H28N2O3/c1-14-7-10-16(19(20)23)13-21(14)18(22)6-4-3-5-15-8-11-17(24-2)12-9-15/h8-9,11-12,14,16H,3-7,10,13H2,1-2H3,(H2,20,23)/t14-,16-/m1/s1
InChIKeyDPSBMFRBTDDDDE-GDBMZVCRSA-N
MW332.44 g/mol
LogP2.52
Rot. Bonds7

About (3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide

(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide (PubChem CID 95584894) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide
PubChem CID95584894
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CCCCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1
InChIInChI=1S/C19H28N2O3/c1-14-7-10-16(19(20)23)13-21(14)18(22)6-4-3-5-15-8-11-17(24-2)12-9-15/h8-9,11-12,14,16H,3-7,10,13H2,1-2H3,(H2,20,23)/t14-,16-/m1/s1
InChIKeyDPSBMFRBTDDDDE-GDBMZVCRSA-N
XLogP2.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide
CID 95584899
1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide
CID 54875909
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 79201154
3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 4229113
5-(4-methoxyphenyl)pentanamide
CID 134389506
1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083922
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
(3S,6R)-1-[2-[4-(cyanomethyl)phenoxy]acetyl]-6-methylpiperidine-3-carboxamide
CID 94482510
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
(3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide
CID 95585123
(3S,6S)-1-[4-(3-acetylphenoxy)butanoyl]-6-methylpiperidine-3-carboxamide
CID 94820120

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide (CID 95584894) is (3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide is COc1ccc(CCCCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1.
What is the InChIKey of (3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is DPSBMFRBTDDDDE-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-7-10-16(19(20)23)13-21(14)18(22)6-4-3-5-15-8-11-17(24-2)12-9-15/h8-9,11-12,14,16H,3-7,10,13H2,1-2H3,(H2,20,23)/t14-,16-/m1/s1.
What are the key properties of (3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide?
(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95584894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).