N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide

C23H29N3O2 — CID 136578286

IUPACN-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
SMILESCN(c1ccccc1)C1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-25(20-10-6-3-7-11-20)21-13-16-26(17-14-21)23(28)12-15-24-22(27)18-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3,(H,24,27)
InChIKeyBVWGQXLGSXZHSE-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.86
Rot. Bonds7

About N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide

N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide (PubChem CID 136578286) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
PubChem CID136578286
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
SMILESCN(c1ccccc1)C1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-25(20-10-6-3-7-11-20)21-13-16-26(17-14-21)23(28)12-15-24-22(27)18-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3,(H,24,27)
InChIKeyBVWGQXLGSXZHSE-UHFFFAOYSA-N
XLogP2.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119516744
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119542661
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
CID 119644211
N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119621646
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900175
1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride
CID 119561837
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1-benzyl-1-methylurea
CID 119518811
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid
CID 119194773
N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]-2-phenylacetamide
CID 86981316
3-[3-[(2-phenylacetyl)amino]propanoyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid
CID 167768619

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The IUPAC name of N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide (CID 136578286) is N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide is CN(c1ccccc1)C1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The InChIKey is BVWGQXLGSXZHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-25(20-10-6-3-7-11-20)21-13-16-26(17-14-21)23(28)12-15-24-22(27)18-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3,(H,24,27).
What are the key properties of N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide has a molecular weight of 379.50 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide is sourced from PubChem (CID 136578286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).