oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide

C18H31N3O5 — CID 171668900

IUPACoxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCC(N2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H29N3O.C2H2O4/c1-3-9-17-16(20)14(2)18-12-7-15(8-13-18)19-10-5-4-6-11-19;3-1(4)2(5)6/h3,14-15H,1,4-13H2,2H3,(H,17,20);(H,3,4)(H,5,6)
InChIKeyNHRPOGFEOZDEAI-UHFFFAOYSA-N
MW369.46 g/mol
LogP0.78
Rot. Bonds5

About oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide

oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide (PubChem CID 171668900) has the molecular formula C18H31N3O5 and a molecular weight of 369.46 g/mol. Its IUPAC name is oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Nameoxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
PubChem CID171668900
Molecular FormulaC18H31N3O5
Molecular Weight369.46 g/mol
Exact Mass369.23
IUPAC Nameoxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCC(N2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H29N3O.C2H2O4/c1-3-9-17-16(20)14(2)18-12-7-15(8-13-18)19-10-5-4-6-11-19;3-1(4)2(5)6/h3,14-15H,1,4-13H2,2H3,(H,17,20);(H,3,4)(H,5,6)
InChIKeyNHRPOGFEOZDEAI-UHFFFAOYSA-N
XLogP0.78
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 43385844
(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 94411156
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 56787482
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
CID 63849477
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42896207
ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 60676295
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 62655712

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The IUPAC name of oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide (CID 171668900) is oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CCC(N2CCCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is NHRPOGFEOZDEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.C2H2O4/c1-3-9-17-16(20)14(2)18-12-7-15(8-13-18)19-10-5-4-6-11-19;3-1(4)2(5)6/h3,14-15H,1,4-13H2,2H3,(H,17,20);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide?
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide has a molecular weight of 369.46 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 171668900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).