3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide

C15H27N5O — CID 120911130

IUPAC3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
SMILESCCn1nccc1CN1CCCCC1CNC(=O)CCN
InChIInChI=1S/C15H27N5O/c1-2-20-14(7-9-18-20)12-19-10-4-3-5-13(19)11-17-15(21)6-8-16/h7,9,13H,2-6,8,10-12,16H2,1H3,(H,17,21)
InChIKeySQWJHOWINSAYDU-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.72
Rot. Bonds7

About 3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120911130) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
PubChem CID120911130
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
SMILESCCn1nccc1CN1CCCCC1CNC(=O)CCN
InChIInChI=1S/C15H27N5O/c1-2-20-14(7-9-18-20)12-19-10-4-3-5-13(19)11-17-15(21)6-8-16/h7,9,13H,2-6,8,10-12,16H2,1H3,(H,17,21)
InChIKeySQWJHOWINSAYDU-UHFFFAOYSA-N
XLogP0.72
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911586
3-amino-N-[[1-[(3-chloro-2-pyridinyl)methyl]piperidin-2-yl]methyl]propanamide
CID 166247213
3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911593
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911373
3-amino-N-[[1-[(3-hydroxy-2-methoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911276
3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911453
3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910902
3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910974
3-amino-N-[[1-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911395
3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581348

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide (CID 120911130) is 3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide is CCn1nccc1CN1CCCCC1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is SQWJHOWINSAYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-2-20-14(7-9-18-20)12-19-10-4-3-5-13(19)11-17-15(21)6-8-16/h7,9,13H,2-6,8,10-12,16H2,1H3,(H,17,21).
What are the key properties of 3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 293.42 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120911130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).