N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide

C22H31N3O3 — CID 4291656

IUPACN'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide
SMILESCC(=O)N1CCC(N(C(=O)CCC(=O)NCCc2ccccc2)C2CC2)CC1
InChIInChI=1S/C22H31N3O3/c1-17(26)24-15-12-20(13-16-24)25(19-7-8-19)22(28)10-9-21(27)23-14-11-18-5-3-2-4-6-18/h2-6,19-20H,7-16H2,1H3,(H,23,27)
InChIKeyUCTDNTMAAIARFA-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.13
Rot. Bonds8

About N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide

N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide (PubChem CID 4291656) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide.

Molecular Properties

Compound NameN'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide
PubChem CID4291656
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide
SMILESCC(=O)N1CCC(N(C(=O)CCC(=O)NCCc2ccccc2)C2CC2)CC1
InChIInChI=1S/C22H31N3O3/c1-17(26)24-15-12-20(13-16-24)25(19-7-8-19)22(28)10-9-21(27)23-14-11-18-5-3-2-4-6-18/h2-6,19-20H,7-16H2,1H3,(H,23,27)
InChIKeyUCTDNTMAAIARFA-UHFFFAOYSA-N
XLogP2.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[acetyl-[2-(3-phenylpropanoylamino)ethyl]amino]piperidine-1-carboxylate
CID 113056382
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340
1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108974430
N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 136578286
ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
CID 9431113
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
tert-butyl 4-oxo-4-(2-phenylethylamino)butanoate
CID 106706933
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea
CID 53234561
N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5203446

Frequently Asked Questions

What is the IUPAC name of N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide?
The IUPAC name of N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide (CID 4291656) is N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide.
What is the SMILES notation for N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide?
The canonical SMILES for N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide is CC(=O)N1CCC(N(C(=O)CCC(=O)NCCc2ccccc2)C2CC2)CC1.
What is the InChIKey of N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide?
The InChIKey is UCTDNTMAAIARFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-17(26)24-15-12-20(13-16-24)25(19-7-8-19)22(28)10-9-21(27)23-14-11-18-5-3-2-4-6-18/h2-6,19-20H,7-16H2,1H3,(H,23,27).
What are the key properties of N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide?
N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide has a molecular weight of 385.51 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-acetylpiperidin-4-yl)-N'-cyclopropyl-N-(2-phenylethyl)butanediamide is sourced from PubChem (CID 4291656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).