ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide

C35H78N6O3 — CID 166075805

IUPACethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide
SMILESCC.CC.CC.CC.CCC(=O)NC1CCN(C)CC1.CCNC(=O)C1CCN(C)CC1.CNC(=O)CC1CCN(C)CC1
InChIInChI=1S/3C9H18N2O.4C2H6/c1-10-9(12)7-8-3-5-11(2)6-4-8;1-3-10-9(12)8-4-6-11(2)7-5-8;1-3-9(12)10-8-4-6-11(2)7-5-8;4*1-2/h3*8H,3-7H2,1-2H3,(H,10,12);4*1-2H3
InChIKeyKYEGRWNTRCBDOI-UHFFFAOYSA-N
MW631.05 g/mol
LogP5.64
Rot. Bonds6

About ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide

ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 166075805) has the molecular formula C35H78N6O3 and a molecular weight of 631.05 g/mol. Its IUPAC name is ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Nameethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide
PubChem CID166075805
Molecular FormulaC35H78N6O3
Molecular Weight631.05 g/mol
Exact Mass630.61
IUPAC Nameethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide
SMILESCC.CC.CC.CC.CCC(=O)NC1CCN(C)CC1.CCNC(=O)C1CCN(C)CC1.CNC(=O)CC1CCN(C)CC1
InChIInChI=1S/3C9H18N2O.4C2H6/c1-10-9(12)7-8-3-5-11(2)6-4-8;1-3-10-9(12)8-4-6-11(2)7-5-8;1-3-9(12)10-8-4-6-11(2)7-5-8;4*1-2/h3*8H,3-7H2,1-2H3,(H,10,12);4*1-2H3
InChIKeyKYEGRWNTRCBDOI-UHFFFAOYSA-N
XLogP5.64
TPSA97.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.05
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3239879
N-[3-(4-methylpiperidin-1-yl)propyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3243323
1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
CID 6467229
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3236692
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 3320932
1-[4-(Piperidine-1-carbonyl)-[1,4'-bipiperidin]-1'-YL]pentan-1-one
CID 42693384
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
1-[4-(Dimethylamino)piperidin-1-yl]-2-(piperidin-4-yl)ethan-1-one
CID 43586221
(3,3-Dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone
CID 123743708
[4-(3-Fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 144642085
Sdccgsbi-0117564.P001
CID 25375391
1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 20911412

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide (CID 166075805) is ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide is CC.CC.CC.CC.CCC(=O)NC1CCN(C)CC1.CCNC(=O)C1CCN(C)CC1.CNC(=O)CC1CCN(C)CC1.
What is the InChIKey of ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is KYEGRWNTRCBDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H18N2O.4C2H6/c1-10-9(12)7-8-3-5-11(2)6-4-8;1-3-10-9(12)8-4-6-11(2)7-5-8;1-3-9(12)10-8-4-6-11(2)7-5-8;4*1-2/h3*8H,3-7H2,1-2H3,(H,10,12);4*1-2H3.
What are the key properties of ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide?
ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 631.05 g/mol, XLogP of 5.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 166075805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).