N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide

C16H25N3O2S — CID 119865355

IUPACN-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccs2)C1)C1COCCN1
InChIInChI=1S/C16H25N3O2S/c20-16(15-12-21-7-5-17-15)18-9-13-3-1-6-19(10-13)11-14-4-2-8-22-14/h2,4,8,13,15,17H,1,3,5-7,9-12H2,(H,18,20)
InChIKeyBKTMGWRJHRRCMV-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.06
Rot. Bonds5

About N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide

N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide (PubChem CID 119865355) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide
PubChem CID119865355
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccs2)C1)C1COCCN1
InChIInChI=1S/C16H25N3O2S/c20-16(15-12-21-7-5-17-15)18-9-13-3-1-6-19(10-13)11-14-4-2-8-22-14/h2,4,8,13,15,17H,1,3,5-7,9-12H2,(H,18,20)
InChIKeyBKTMGWRJHRRCMV-UHFFFAOYSA-N
XLogP1.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120634827
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865366
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 124581557
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119865370
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide (CID 119865355) is N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide is O=C(NCC1CCCN(Cc2cccs2)C1)C1COCCN1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide?
The InChIKey is BKTMGWRJHRRCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c20-16(15-12-21-7-5-17-15)18-9-13-3-1-6-19(10-13)11-14-4-2-8-22-14/h2,4,8,13,15,17H,1,3,5-7,9-12H2,(H,18,20).
What are the key properties of N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide?
N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119865355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).