3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C14H26ClN5O — CID 120911593

IUPAC3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.Cn1cncc1CN1CCCCC1CNC(=O)CCN
InChIInChI=1S/C14H25N5O.ClH/c1-18-11-16-8-13(18)10-19-7-3-2-4-12(19)9-17-14(20)5-6-15;/h8,11-12H,2-7,9-10,15H2,1H3,(H,17,20);1H
InChIKeyXMVDXNAQZFRGRU-UHFFFAOYSA-N
MW315.85 g/mol
LogP0.66
Rot. Bonds6

About 3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120911593) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is 3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120911593
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC Name3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.Cn1cncc1CN1CCCCC1CNC(=O)CCN
InChIInChI=1S/C14H25N5O.ClH/c1-18-11-16-8-13(18)10-19-7-3-2-4-12(19)9-17-14(20)5-6-15;/h8,11-12H,2-7,9-10,15H2,1H3,(H,17,20);1H
InChIKeyXMVDXNAQZFRGRU-UHFFFAOYSA-N
XLogP0.66
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911373
[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66117539
3-amino-N-[[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911130
3-amino-N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911586
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-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581394
3-amino-N-[[1-(thiadiazol-4-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911161
3-amino-N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911016
3-amino-N-[[1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911408
3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911253
3-amino-N-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910925

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120911593) is 3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.Cn1cncc1CN1CCCCC1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is XMVDXNAQZFRGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.ClH/c1-18-11-16-8-13(18)10-19-7-3-2-4-12(19)9-17-14(20)5-6-15;/h8,11-12H,2-7,9-10,15H2,1H3,(H,17,20);1H.
What are the key properties of 3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120911593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).