N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride

C19H36ClN3O3 — CID 119664253

IUPACN-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N1CCC(OCCCN)CC1.Cl
InChIInChI=1S/C19H35N3O3.ClH/c1-15(21-18(23)14-16-6-3-2-4-7-16)19(24)22-11-8-17(9-12-22)25-13-5-10-20;/h15-17H,2-14,20H2,1H3,(H,21,23);1H
InChIKeyOMGPSQHOSHSRJQ-UHFFFAOYSA-N
MW389.97 g/mol
LogP2.24
Rot. Bonds8

About N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride

N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride (PubChem CID 119664253) has the molecular formula C19H36ClN3O3 and a molecular weight of 389.97 g/mol. Its IUPAC name is N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
PubChem CID119664253
Molecular FormulaC19H36ClN3O3
Molecular Weight389.97 g/mol
Exact Mass389.24
IUPAC NameN-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N1CCC(OCCCN)CC1.Cl
InChIInChI=1S/C19H35N3O3.ClH/c1-15(21-18(23)14-16-6-3-2-4-7-16)19(24)22-11-8-17(9-12-22)25-13-5-10-20;/h15-17H,2-14,20H2,1H3,(H,21,23);1H
InChIKeyOMGPSQHOSHSRJQ-UHFFFAOYSA-N
XLogP2.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 119664074
2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119647793
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119664374
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride
CID 119663469
2-cyclopentyl-N-[(2R)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 95153781
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119661482
2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119418106
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one
CID 119664240
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
2-cyclohexyl-N-[(2S)-1-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 164631551
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
CID 119634129
2-[4-(3-aminopropoxy)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 79735407

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride?
The IUPAC name of N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride (CID 119664253) is N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride?
The canonical SMILES for N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride is CC(NC(=O)CC1CCCCC1)C(=O)N1CCC(OCCCN)CC1.Cl.
What is the InChIKey of N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride?
The InChIKey is OMGPSQHOSHSRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3.ClH/c1-15(21-18(23)14-16-6-3-2-4-7-16)19(24)22-11-8-17(9-12-22)25-13-5-10-20;/h15-17H,2-14,20H2,1H3,(H,21,23);1H.
What are the key properties of N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride?
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 119664253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).