N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide

C21H33N3O2 — CID 119883692

IUPACN-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide
SMILESO=C(NCCCCN1CCC(Cc2ccccc2)CC1)C1COCCN1
InChIInChI=1S/C21H33N3O2/c25-21(20-17-26-15-11-22-20)23-10-4-5-12-24-13-8-19(9-14-24)16-18-6-2-1-3-7-18/h1-3,6-7,19-20,22H,4-5,8-17H2,(H,23,25)
InChIKeyGAECHZCJIKRKQE-UHFFFAOYSA-N
MW359.51 g/mol
LogP1.83
Rot. Bonds8

About N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide

N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide (PubChem CID 119883692) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide
PubChem CID119883692
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide
SMILESO=C(NCCCCN1CCC(Cc2ccccc2)CC1)C1COCCN1
InChIInChI=1S/C21H33N3O2/c25-21(20-17-26-15-11-22-20)23-10-4-5-12-24-13-8-19(9-14-24)16-18-6-2-1-3-7-18/h1-3,6-7,19-20,22H,4-5,8-17H2,(H,23,25)
InChIKeyGAECHZCJIKRKQE-UHFFFAOYSA-N
XLogP1.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.83
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-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride
CID 119901924
N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide
CID 119897262
N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 119844550
(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119725012
1-[4-(4-benzylpiperidin-1-yl)butyl]-2-(cyclobutylmethyl)guanidine
CID 111807968
(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686982
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119741106
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide
CID 119861728
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide
CID 119840985
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]morpholine-3-carboxamide
CID 119862675

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide?
The IUPAC name of N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide (CID 119883692) is N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide?
The canonical SMILES for N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide is O=C(NCCCCN1CCC(Cc2ccccc2)CC1)C1COCCN1.
What is the InChIKey of N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide?
The InChIKey is GAECHZCJIKRKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c25-21(20-17-26-15-11-22-20)23-10-4-5-12-24-13-8-19(9-14-24)16-18-6-2-1-3-7-18/h1-3,6-7,19-20,22H,4-5,8-17H2,(H,23,25).
What are the key properties of N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide?
N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide is sourced from PubChem (CID 119883692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).