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

C17H34ClN3O — CID 120581306

IUPAC3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1CCC1CCCCC1
InChIInChI=1S/C17H33N3O.ClH/c18-11-9-17(21)19-14-16-8-4-5-12-20(16)13-10-15-6-2-1-3-7-15;/h15-16H,1-14,18H2,(H,19,21);1H
InChIKeyBCSZAEDEVLVRQA-UHFFFAOYSA-N
MW331.93 g/mol
LogP2.70
Rot. Bonds7

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

3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120581306) has the molecular formula C17H34ClN3O and a molecular weight of 331.93 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120581306
Molecular FormulaC17H34ClN3O
Molecular Weight331.93 g/mol
Exact Mass331.24
IUPAC Name3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1CCC1CCCCC1
InChIInChI=1S/C17H33N3O.ClH/c18-11-9-17(21)19-14-16-8-4-5-12-20(16)13-10-15-6-2-1-3-7-15;/h15-16H,1-14,18H2,(H,19,21);1H
InChIKeyBCSZAEDEVLVRQA-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.93
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120579242
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CID 120910897
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
3-amino-N-[[1-[(3-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide
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3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide
CID 120967162
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-[(2-methylcyclohexyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911094
3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide
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[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114
3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911593
3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581348
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120581306) is 3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1CCC1CCCCC1.
What is the InChIKey of 3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is BCSZAEDEVLVRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.ClH/c18-11-9-17(21)19-14-16-8-4-5-12-20(16)13-10-15-6-2-1-3-7-15;/h15-16H,1-14,18H2,(H,19,21);1H.
What are the key properties of 3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 331.93 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120581306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).