N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide

C19H30N2O2 — CID 94123444

IUPACN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCN2C[C@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C19H30N2O2/c1-15-11-16(2)14-21(13-15)10-5-4-9-20-19(22)17-7-6-8-18(12-17)23-3/h6-8,12,15-16H,4-5,9-11,13-14H2,1-3H3,(H,20,22)/t15-,16+
InChIKeyRQZRQDRWGILPMV-IYBDPMFKSA-N
MW318.46 g/mol
LogP3.18
Rot. Bonds7

About N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide

N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide (PubChem CID 94123444) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
PubChem CID94123444
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCN2C[C@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C19H30N2O2/c1-15-11-16(2)14-21(13-15)10-5-4-9-20-19(22)17-7-6-8-18(12-17)23-3/h6-8,12,15-16H,4-5,9-11,13-14H2,1-3H3,(H,20,22)/t15-,16+
InChIKeyRQZRQDRWGILPMV-IYBDPMFKSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.18
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

N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601079
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
(2S)-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3-methoxyphenoxy)butanamide
CID 28631887
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-nitrobenzamide
CID 51525726
3-methoxy-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111386707
3-methoxy-N-tridecylbenzamide
CID 139819898
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide
CID 94188113
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51948819
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 55847760

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide (CID 94123444) is N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCCN2C[C@H](C)C[C@H](C)C2)c1.
What is the InChIKey of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide?
The InChIKey is RQZRQDRWGILPMV-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-11-16(2)14-21(13-15)10-5-4-9-20-19(22)17-7-6-8-18(12-17)23-3/h6-8,12,15-16H,4-5,9-11,13-14H2,1-3H3,(H,20,22)/t15-,16+.
What are the key properties of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide?
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide has a molecular weight of 318.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide is sourced from PubChem (CID 94123444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).