4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide

C16H25N3O2 — CID 83269410

IUPAC4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide
SMILESCc1cccc(NC2(CO)CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-13-5-4-6-14(11-13)17-16(12-20)7-9-19(10-8-16)15(21)18(2)3/h4-6,11,17,20H,7-10,12H2,1-3H3
InChIKeyKIFPAMOLRLFWSM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.92
Rot. Bonds3

About 4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide

4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide (PubChem CID 83269410) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide
PubChem CID83269410
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide
SMILESCc1cccc(NC2(CO)CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-13-5-4-6-14(11-13)17-16(12-20)7-9-19(10-8-16)15(21)18(2)3/h4-6,11,17,20H,7-10,12H2,1-3H3
InChIKeyKIFPAMOLRLFWSM-UHFFFAOYSA-N
XLogP1.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride
CID 21193427
[4-(3-methylanilino)-1-propylazepan-4-yl]methanol
CID 65076521
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
4-(3-methylanilino)thiane-4-carboxylic acid
CID 55137542
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(3-methylphenyl)acetamide
CID 62518654
1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982829
[1-ethyl-4-(3-methoxyanilino)piperidin-4-yl]methanol
CID 61048674
[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol
CID 61049744
4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 97116910
4-(3-methylanilino)-1-propylazepane-4-carboxylic acid
CID 65075650

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide (CID 83269410) is 4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide is Cc1cccc(NC2(CO)CCN(C(=O)N(C)C)CC2)c1.
What is the InChIKey of 4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide?
The InChIKey is KIFPAMOLRLFWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-5-4-6-14(11-13)17-16(12-20)7-9-19(10-8-16)15(21)18(2)3/h4-6,11,17,20H,7-10,12H2,1-3H3.
What are the key properties of 4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide?
4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide is sourced from PubChem (CID 83269410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).