2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C19H29N3O2 — CID 110899279

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CN1CCC(CO)CC1
InChIInChI=1S/C19H29N3O2/c1-15-12-17(22-8-2-3-9-22)4-5-18(15)20-19(24)13-21-10-6-16(14-23)7-11-21/h4-5,12,16,23H,2-3,6-11,13-14H2,1H3,(H,20,24)
InChIKeyWCVCMRVEGSABPC-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.24
Rot. Bonds5

About 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110899279) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110899279
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CN1CCC(CO)CC1
InChIInChI=1S/C19H29N3O2/c1-15-12-17(22-8-2-3-9-22)4-5-18(15)20-19(24)13-21-10-6-16(14-23)7-11-21/h4-5,12,16,23H,2-3,6-11,13-14H2,1H3,(H,20,24)
InChIKeyWCVCMRVEGSABPC-UHFFFAOYSA-N
XLogP2.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570264
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 26424229
N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787565
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 24659758
N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 47279950
4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide
CID 79322701
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 18088059

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 110899279) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is WCVCMRVEGSABPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-12-17(22-8-2-3-9-22)4-5-18(15)20-19(24)13-21-10-6-16(14-23)7-11-21/h4-5,12,16,23H,2-3,6-11,13-14H2,1H3,(H,20,24).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110899279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).