N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

C22H34ClN3O3 — CID 119720937

IUPACN-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCNCC1)c1ccc(OCC(=O)NC2CC2)cc1.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-15(17-9-11-23-12-10-17)13-21(26)24-16(2)18-3-7-20(8-4-18)28-14-22(27)25-19-5-6-19;/h3-4,7-8,15-17,19,23H,5-6,9-14H2,1-2H3,(H,24,26)(H,25,27);1H
InChIKeyLNVLKWFKYDQNOJ-UHFFFAOYSA-N
MW423.99 g/mol
LogP2.97
Rot. Bonds9

About N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119720937) has the molecular formula C22H34ClN3O3 and a molecular weight of 423.99 g/mol. Its IUPAC name is N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119720937
Molecular FormulaC22H34ClN3O3
Molecular Weight423.99 g/mol
Exact Mass423.23
IUPAC NameN-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCNCC1)c1ccc(OCC(=O)NC2CC2)cc1.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-15(17-9-11-23-12-10-17)13-21(26)24-16(2)18-3-7-20(8-4-18)28-14-22(27)25-19-5-6-19;/h3-4,7-8,15-17,19,23H,5-6,9-14H2,1-2H3,(H,24,26)(H,25,27);1H
InChIKeyLNVLKWFKYDQNOJ-UHFFFAOYSA-N
XLogP2.97
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide
CID 119720950
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622064
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
CID 119288036
N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119750157
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
CID 119721978
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492
N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119779875
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119736423
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119720937) is N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(NC(=O)CC(C)C1CCNCC1)c1ccc(OCC(=O)NC2CC2)cc1.Cl.
What is the InChIKey of N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is LNVLKWFKYDQNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3.ClH/c1-15(17-9-11-23-12-10-17)13-21(26)24-16(2)18-3-7-20(8-4-18)28-14-22(27)25-19-5-6-19;/h3-4,7-8,15-17,19,23H,5-6,9-14H2,1-2H3,(H,24,26)(H,25,27);1H.
What are the key properties of N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119720937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).