methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride

C19H29ClN2O3 — CID 119775698

IUPACmethyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
SMILESCOC(=O)CCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-14(16-9-11-20-12-10-16)13-18(22)21-17-6-3-15(4-7-17)5-8-19(23)24-2;/h3-4,6-7,14,16,20H,5,8-13H2,1-2H3,(H,21,22);1H
InChIKeyWEJPYISJMQZOLR-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.18
Rot. Bonds7

About methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride

methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride (PubChem CID 119775698) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
PubChem CID119775698
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Namemethyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
SMILESCOC(=O)CCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-14(16-9-11-20-12-10-16)13-18(22)21-17-6-3-15(4-7-17)5-8-19(23)24-2;/h3-4,6-7,14,16,20H,5,8-13H2,1-2H3,(H,21,22);1H
InChIKeyWEJPYISJMQZOLR-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119749383
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide
CID 119862150
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride
CID 119788959
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418
3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
CID 119698638

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride (CID 119775698) is methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride is COC(=O)CCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride?
The InChIKey is WEJPYISJMQZOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.ClH/c1-14(16-9-11-20-12-10-16)13-18(22)21-17-6-3-15(4-7-17)5-8-19(23)24-2;/h3-4,6-7,14,16,20H,5,8-13H2,1-2H3,(H,21,22);1H.
What are the key properties of methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride?
methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride is sourced from PubChem (CID 119775698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).