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

C19H31N3O2 — CID 120910974

IUPAC3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
SMILESCCCOc1cccc(CN2CCCCC2CNC(=O)CCN)c1
InChIInChI=1S/C19H31N3O2/c1-2-12-24-18-8-5-6-16(13-18)15-22-11-4-3-7-17(22)14-21-19(23)9-10-20/h5-6,8,13,17H,2-4,7,9-12,14-15,20H2,1H3,(H,21,23)
InChIKeyBOYGAODMPBKCCC-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.29
Rot. Bonds9

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

3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120910974) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
PubChem CID120910974
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
SMILESCCCOc1cccc(CN2CCCCC2CNC(=O)CCN)c1
InChIInChI=1S/C19H31N3O2/c1-2-12-24-18-8-5-6-16(13-18)15-22-11-4-3-7-17(22)14-21-19(23)9-10-20/h5-6,8,13,17H,2-4,7,9-12,14-15,20H2,1H3,(H,21,23)
InChIKeyBOYGAODMPBKCCC-UHFFFAOYSA-N
XLogP2.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911453
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911055
3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911201
1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024
3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
methyl 4-[[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]methyl]-1H-pyrrole-2-carboxylate
CID 120911626
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
3-amino-N-[[1-[(4-methyl-3-nitrophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911335
3-amino-N-[[1-[(4-methoxy-3-nitrophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581326
3-amino-N-[[1-[(3-hydroxy-2-methoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911276

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide (CID 120910974) is 3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide is CCCOc1cccc(CN2CCCCC2CNC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is BOYGAODMPBKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-2-12-24-18-8-5-6-16(13-18)15-22-11-4-3-7-17(22)14-21-19(23)9-10-20/h5-6,8,13,17H,2-4,7,9-12,14-15,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120910974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).