N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride

C19H30ClN3O2 — CID 119644211

IUPACN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
SMILESCCNCC1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-2-20-15-17-9-12-22(13-10-17)19(24)8-11-21-18(23)14-16-6-4-3-5-7-16;/h3-7,17,20H,2,8-15H2,1H3,(H,21,23);1H
InChIKeyOHPSJIXXIPMOBI-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.01
Rot. Bonds8

About N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride (PubChem CID 119644211) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
PubChem CID119644211
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
SMILESCCNCC1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-2-20-15-17-9-12-22(13-10-17)19(24)8-11-21-18(23)14-16-6-4-3-5-7-16;/h3-7,17,20H,2,8-15H2,1H3,(H,21,23);1H
InChIKeyOHPSJIXXIPMOBI-UHFFFAOYSA-N
XLogP2.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119542661
N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119621646
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119516744
N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 136578286
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119646015
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119647023
3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119647509
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one;hydrochloride
CID 119644243
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride (CID 119644211) is N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride is CCNCC1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1.Cl.
What is the InChIKey of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride?
The InChIKey is OHPSJIXXIPMOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-2-20-15-17-9-12-22(13-10-17)19(24)8-11-21-18(23)14-16-6-4-3-5-7-16;/h3-7,17,20H,2,8-15H2,1H3,(H,21,23);1H.
What are the key properties of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride?
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119644211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).