ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide

C17H37N3O — CID 144702617

IUPACethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
SMILESCC.CC.CN1CCC(C(=O)NCC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O.2C2H6/c1-16-8-4-12(5-9-16)13(17)15-10-11-2-6-14-7-3-11;2*1-2/h11-12,14H,2-10H2,1H3,(H,15,17);2*1-2H3
InChIKeyHUTFDKIZHRXADP-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.50
Rot. Bonds3

About ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide

ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 144702617) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Nameethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID144702617
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Nameethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
SMILESCC.CC.CN1CCC(C(=O)NCC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O.2C2H6/c1-16-8-4-12(5-9-16)13(17)15-10-11-2-6-14-7-3-11;2*1-2/h11-12,14H,2-10H2,1H3,(H,15,17);2*1-2H3
InChIKeyHUTFDKIZHRXADP-UHFFFAOYSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63006550
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000
N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
CID 170709759
N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627369
acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide
CID 154909480
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
CID 60855593
N-[(3-hydroxycyclobutyl)methyl]piperidine-4-carboxamide
CID 66006145
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 114428843
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234533
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide (CID 144702617) is ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide is CC.CC.CN1CCC(C(=O)NCC2CCNCC2)CC1.
What is the InChIKey of ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HUTFDKIZHRXADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2C2H6/c1-16-8-4-12(5-9-16)13(17)15-10-11-2-6-14-7-3-11;2*1-2/h11-12,14H,2-10H2,1H3,(H,15,17);2*1-2H3.
What are the key properties of ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide?
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 299.50 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 144702617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).