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

C18H30ClN3O — CID 120910963

IUPAC3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC(CN1CCCCC1CNC(=O)CCN)c1ccccc1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-15(16-7-3-2-4-8-16)14-21-12-6-5-9-17(21)13-20-18(22)10-11-19;/h2-4,7-8,15,17H,5-6,9-14,19H2,1H3,(H,20,22);1H
InChIKeyRWTLBLNTRZJNAC-UHFFFAOYSA-N
MW339.91 g/mol
LogP2.53
Rot. Bonds7

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

3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120910963) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120910963
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC Name3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC(CN1CCCCC1CNC(=O)CCN)c1ccccc1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-15(16-7-3-2-4-8-16)14-21-12-6-5-9-17(21)13-20-18(22)10-11-19;/h2-4,7-8,15,17H,5-6,9-14,19H2,1H3,(H,20,22);1H
InChIKeyRWTLBLNTRZJNAC-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
CID 65062535
3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581348
2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
CID 65067815
3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911055
3-amino-N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911586
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579611
3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120579881
3-amino-N-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581394
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide
CID 120967162
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120910963) is 3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride is CC(CN1CCCCC1CNC(=O)CCN)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is RWTLBLNTRZJNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.ClH/c1-15(16-7-3-2-4-8-16)14-21-12-6-5-9-17(21)13-20-18(22)10-11-19;/h2-4,7-8,15,17H,5-6,9-14,19H2,1H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 2.53, 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-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120910963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).