(3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide

C16H26N4O3 — CID 95584930

IUPAC(3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
SMILESCCCc1noc(CCCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)n1
InChIInChI=1S/C16H26N4O3/c1-3-5-13-18-14(23-19-13)6-4-7-15(21)20-10-12(16(17)22)9-8-11(20)2/h11-12H,3-10H2,1-2H3,(H2,17,22)/t11-,12+/m0/s1
InChIKeyRFUSXDQJHVOXIW-NWDGAFQWSA-N
MW322.41 g/mol
LogP1.46
Rot. Bonds7

About (3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide

(3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide (PubChem CID 95584930) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
PubChem CID95584930
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
SMILESCCCc1noc(CCCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)n1
InChIInChI=1S/C16H26N4O3/c1-3-5-13-18-14(23-19-13)6-4-7-15(21)20-10-12(16(17)22)9-8-11(20)2/h11-12H,3-10H2,1-2H3,(H2,17,22)/t11-,12+/m0/s1
InChIKeyRFUSXDQJHVOXIW-NWDGAFQWSA-N
XLogP1.46
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S,6S)-1-[4-(1,3-benzoxazol-2-yl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 95584989
1-[4-(1,3-benzoxazol-2-yl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 56820047
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 79201154
1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 120572504
1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide
CID 54875909
3-amino-N-[[1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579941
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide
CID 95584894
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 43355954
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 95327283
ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate
CID 55821563
1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone
CID 60584458

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide (CID 95584930) is (3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide is CCCc1noc(CCCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)n1.
What is the InChIKey of (3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide?
The InChIKey is RFUSXDQJHVOXIW-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-5-13-18-14(23-19-13)6-4-7-15(21)20-10-12(16(17)22)9-8-11(20)2/h11-12H,3-10H2,1-2H3,(H2,17,22)/t11-,12+/m0/s1.
What are the key properties of (3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide?
(3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 95584930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).