1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone

C19H31N3O2 — CID 119663844

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone
SMILESCCN(C)C(C(=O)N1CCC(OCCCN)CC1)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-3-21(2)18(16-8-5-4-6-9-16)19(23)22-13-10-17(11-14-22)24-15-7-12-20/h4-6,8-9,17-18H,3,7,10-15,20H2,1-2H3
InChIKeyKYBSCBOVSAVHCG-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.04
Rot. Bonds8

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone (PubChem CID 119663844) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone
PubChem CID119663844
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone
SMILESCCN(C)C(C(=O)N1CCC(OCCCN)CC1)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-3-21(2)18(16-8-5-4-6-9-16)19(23)22-13-10-17(11-14-22)24-15-7-12-20/h4-6,8-9,17-18H,3,7,10-15,20H2,1-2H3
InChIKeyKYBSCBOVSAVHCG-UHFFFAOYSA-N
XLogP2.04
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
CID 119661612
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
CID 119662177
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-benzylsulfanyl-3-methylbutan-1-one;hydrochloride
CID 119663139
2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56509530
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119663039
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
1-[1-[(2R)-2-[ethyl(methyl)amino]-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one
CID 97099154
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119661482
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
1-[1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-benzylurea;hydrochloride
CID 119663275
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone (CID 119663844) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone is CCN(C)C(C(=O)N1CCC(OCCCN)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone?
The InChIKey is KYBSCBOVSAVHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-21(2)18(16-8-5-4-6-9-16)19(23)22-13-10-17(11-14-22)24-15-7-12-20/h4-6,8-9,17-18H,3,7,10-15,20H2,1-2H3.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone has a molecular weight of 333.48 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone is sourced from PubChem (CID 119663844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).