3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide

C17H25N5OS — CID 120911494

IUPAC3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1Cc1cc(-n2ccnc2)cs1
InChIInChI=1S/C17H25N5OS/c18-5-4-17(23)20-10-14-3-1-2-7-21(14)11-16-9-15(12-24-16)22-8-6-19-13-22/h6,8-9,12-14H,1-5,7,10-11,18H2,(H,20,23)
InChIKeySACIQKAQZFRGSR-UHFFFAOYSA-N
MW347.49 g/mol
LogP1.75
Rot. Bonds7

About 3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120911494) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide
PubChem CID120911494
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1Cc1cc(-n2ccnc2)cs1
InChIInChI=1S/C17H25N5OS/c18-5-4-17(23)20-10-14-3-1-2-7-21(14)11-16-9-15(12-24-16)22-8-6-19-13-22/h6,8-9,12-14H,1-5,7,10-11,18H2,(H,20,23)
InChIKeySACIQKAQZFRGSR-UHFFFAOYSA-N
XLogP1.75
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
3-amino-N-[[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581407
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911016
3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911161
3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911386
3-amino-N-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910925
3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911593
3-amino-N-[[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911528
3-amino-N-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120967146
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
3-amino-N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911113

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide (CID 120911494) is 3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1Cc1cc(-n2ccnc2)cs1.
What is the InChIKey of 3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is SACIQKAQZFRGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c18-5-4-17(23)20-10-14-3-1-2-7-21(14)11-16-9-15(12-24-16)22-8-6-19-13-22/h6,8-9,12-14H,1-5,7,10-11,18H2,(H,20,23).
What are the key properties of 3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 347.49 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(4-imidazol-1-ylthiophen-2-yl)methyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120911494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).