N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C21H35Cl2N3O2 — CID 119878401

IUPACN-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(C(C)N2CCOCC2)cc1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C21H33N3O2.2ClH/c1-16(19-4-3-9-22-15-19)14-21(25)23-20-7-5-18(6-8-20)17(2)24-10-12-26-13-11-24;;/h5-8,16-17,19,22H,3-4,9-15H2,1-2H3,(H,23,25);2*1H
InChIKeyGKGAVMFBDGQPTC-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.89
Rot. Bonds6

About N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119878401) has the molecular formula C21H35Cl2N3O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119878401
Molecular FormulaC21H35Cl2N3O2
Molecular Weight432.44 g/mol
Exact Mass431.21
IUPAC NameN-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(C(C)N2CCOCC2)cc1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C21H33N3O2.2ClH/c1-16(19-4-3-9-22-15-19)14-21(25)23-20-7-5-18(6-8-20)17(2)24-10-12-26-13-11-24;;/h5-8,16-17,19,22H,3-4,9-15H2,1-2H3,(H,23,25);2*1H
InChIKeyGKGAVMFBDGQPTC-UHFFFAOYSA-N
XLogP3.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119712378
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516
N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712326
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119698584
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119749370
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119878401) is N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)Nc1ccc(C(C)N2CCOCC2)cc1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is GKGAVMFBDGQPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.2ClH/c1-16(19-4-3-9-22-15-19)14-21(25)23-20-7-5-18(6-8-20)17(2)24-10-12-26-13-11-24;;/h5-8,16-17,19,22H,3-4,9-15H2,1-2H3,(H,23,25);2*1H.
What are the key properties of N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 432.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119878401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).