N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C27H35N3O4 — CID 55965874

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C27H35N3O4/c31-26(13-16-33-24-11-5-2-6-12-24)30-14-7-10-23(20-30)27(32)28-18-25-21-29(15-17-34-25)19-22-8-3-1-4-9-22/h1-6,8-9,11-12,23,25H,7,10,13-21H2,(H,28,32)
InChIKeyMVZNVTRANPXBPB-UHFFFAOYSA-N
MW465.59 g/mol
LogP2.71
Rot. Bonds9

About N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55965874) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55965874
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C27H35N3O4/c31-26(13-16-33-24-11-5-2-6-12-24)30-14-7-10-23(20-30)27(32)28-18-25-21-29(15-17-34-25)19-22-8-3-1-4-9-22/h1-6,8-9,11-12,23,25H,7,10,13-21H2,(H,28,32)
InChIKeyMVZNVTRANPXBPB-UHFFFAOYSA-N
XLogP2.71
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 120945996
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60621219
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55965005
2-[2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242294
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60554234
1-[3-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55967043
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55965874) is N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is O=C(NCC1CN(Cc2ccccc2)CCO1)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is MVZNVTRANPXBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c31-26(13-16-33-24-11-5-2-6-12-24)30-14-7-10-23(20-30)27(32)28-18-25-21-29(15-17-34-25)19-22-8-3-1-4-9-22/h1-6,8-9,11-12,23,25H,7,10,13-21H2,(H,28,32).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 465.59 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55965874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).