N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride

C18H28ClN3O4 — CID 119717532

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CC(C)C2CCNCC2)cc1OCC(N)=O.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-12(13-5-7-20-8-6-13)9-18(23)21-14-3-4-15(24-2)16(10-14)25-11-17(19)22;/h3-4,10,12-13,20H,5-9,11H2,1-2H3,(H2,19,22)(H,21,23);1H
InChIKeyKVVIBHJFNNPXST-UHFFFAOYSA-N
MW385.89 g/mol
LogP1.95
Rot. Bonds8

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119717532) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119717532
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CC(C)C2CCNCC2)cc1OCC(N)=O.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-12(13-5-7-20-8-6-13)9-18(23)21-14-3-4-15(24-2)16(10-14)25-11-17(19)22;/h3-4,10,12-13,20H,5-9,11H2,1-2H3,(H2,19,22)(H,21,23);1H
InChIKeyKVVIBHJFNNPXST-UHFFFAOYSA-N
XLogP1.95
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide
CID 119848540
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723367
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide
CID 119724590
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119717528
methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119717532) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride is COc1ccc(NC(=O)CC(C)C2CCNCC2)cc1OCC(N)=O.Cl.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is KVVIBHJFNNPXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-12(13-5-7-20-8-6-13)9-18(23)21-14-3-4-15(24-2)16(10-14)25-11-17(19)22;/h3-4,10,12-13,20H,5-9,11H2,1-2H3,(H2,19,22)(H,21,23);1H.
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119717532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).