N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide

C26H36N2O2 — CID 154981677

IUPACN-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)C1CCC2CCC3CCCC1C32
InChIInChI=1S/C26H36N2O2/c29-25(23-14-13-20-12-11-19-5-4-6-22(23)24(19)20)27-17-18-7-9-21(10-8-18)26(30)28-15-2-1-3-16-28/h7-10,19-20,22-24H,1-6,11-17H2,(H,27,29)
InChIKeyVPFPVZHVFBVTRJ-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.78
Rot. Bonds4

About N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide (PubChem CID 154981677) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide
PubChem CID154981677
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)C1CCC2CCC3CCCC1C32
InChIInChI=1S/C26H36N2O2/c29-25(23-14-13-20-12-11-19-5-4-6-22(23)24(19)20)27-17-18-7-9-21(10-8-18)26(30)28-15-2-1-3-16-28/h7-10,19-20,22-24H,1-6,11-17H2,(H,27,29)
InChIKeyVPFPVZHVFBVTRJ-UHFFFAOYSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide with MolForge

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Related Compounds

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
3-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119694814
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
CID 39162933
(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
CID 125158287
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154903655
6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide
CID 56867645
N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
CID 119375294

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide?
The IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide (CID 154981677) is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide is O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)C1CCC2CCC3CCCC1C32.
What is the InChIKey of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide?
The InChIKey is VPFPVZHVFBVTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c29-25(23-14-13-20-12-11-19-5-4-6-22(23)24(19)20)27-17-18-7-9-21(10-8-18)26(30)28-15-2-1-3-16-28/h7-10,19-20,22-24H,1-6,11-17H2,(H,27,29).
What are the key properties of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide?
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide has a molecular weight of 408.59 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 154981677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).