3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C14H24ClN3OS — CID 120910961

IUPAC3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1ccsc1
InChIInChI=1S/C14H23N3OS.ClH/c15-6-4-14(18)16-9-13-3-1-2-7-17(13)10-12-5-8-19-11-12;/h5,8,11,13H,1-4,6-7,9-10,15H2,(H,16,18);1H
InChIKeyJKZXAUTZKGWZPO-UHFFFAOYSA-N
MW317.89 g/mol
LogP1.99
Rot. Bonds6

About 3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120910961) has the molecular formula C14H24ClN3OS and a molecular weight of 317.89 g/mol. Its IUPAC name is 3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120910961
Molecular FormulaC14H24ClN3OS
Molecular Weight317.89 g/mol
Exact Mass317.13
IUPAC Name3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1ccsc1
InChIInChI=1S/C14H23N3OS.ClH/c15-6-4-14(18)16-9-13-3-1-2-7-17(13)10-12-5-8-19-11-12;/h5,8,11,13H,1-4,6-7,9-10,15H2,(H,16,18);1H
InChIKeyJKZXAUTZKGWZPO-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.89
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911203
3-amino-N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911461
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911161
3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581348
3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911055
3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911453
3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911201
3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581300
N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62579502

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120910961) is 3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1Cc1ccsc1.
What is the InChIKey of 3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is JKZXAUTZKGWZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.ClH/c15-6-4-14(18)16-9-13-3-1-2-7-17(13)10-12-5-8-19-11-12;/h5,8,11,13H,1-4,6-7,9-10,15H2,(H,16,18);1H.
What are the key properties of 3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 317.89 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120910961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).