2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide

C19H31N3O2 — CID 119887515

IUPAC2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
SMILESCCOCCCN1CCC(NC(=O)Cc2ccc(N)cc2)C(C)C1
InChIInChI=1S/C19H31N3O2/c1-3-24-12-4-10-22-11-9-18(15(2)14-22)21-19(23)13-16-5-7-17(20)8-6-16/h5-8,15,18H,3-4,9-14,20H2,1-2H3,(H,21,23)
InChIKeyDOWFFJLALQWRMG-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.06
Rot. Bonds8

About 2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide

2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide (PubChem CID 119887515) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
PubChem CID119887515
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
SMILESCCOCCCN1CCC(NC(=O)Cc2ccc(N)cc2)C(C)C1
InChIInChI=1S/C19H31N3O2/c1-3-24-12-4-10-22-11-9-18(15(2)14-22)21-19(23)13-16-5-7-17(20)8-6-16/h5-8,15,18H,3-4,9-14,20H2,1-2H3,(H,21,23)
InChIKeyDOWFFJLALQWRMG-UHFFFAOYSA-N
XLogP2.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
CID 98764224
N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide
CID 86958670
(1R)-N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100900016
3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide
CID 96551104
2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 119887541
2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119887540
N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine
CID 100857566
N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine
CID 97029599
2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride
CID 119676478
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
CID 98773554
2-(4-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)acetamide
CID 64922495

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide (CID 119887515) is 2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide is CCOCCCN1CCC(NC(=O)Cc2ccc(N)cc2)C(C)C1.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide?
The InChIKey is DOWFFJLALQWRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-24-12-4-10-22-11-9-18(15(2)14-22)21-19(23)13-16-5-7-17(20)8-6-16/h5-8,15,18H,3-4,9-14,20H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide?
2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 119887515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).