4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide

C18H35N3O — CID 118688704

IUPAC4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCCN1CCC(CNC(=O)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O/c1-5-20-10-6-15(7-11-20)14-19-17(22)21-12-8-16(9-13-21)18(2,3)4/h15-16H,5-14H2,1-4H3,(H,19,22)
InChIKeyZMVYTGBZJUGBEU-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.19
Rot. Bonds3

About 4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide

4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 118688704) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide
PubChem CID118688704
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCCN1CCC(CNC(=O)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O/c1-5-20-10-6-15(7-11-20)14-19-17(22)21-12-8-16(9-13-21)18(2,3)4/h15-16H,5-14H2,1-4H3,(H,19,22)
InChIKeyZMVYTGBZJUGBEU-UHFFFAOYSA-N
XLogP3.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032278
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
3-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428663
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
4-tert-butyl-N-methylazepane-1-carboxamide
CID 115631035
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
N-[2-(1-ethylpiperidin-4-yl)ethyl]-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 128673982
2-hydroxyethyl N-[(1-ethylpiperidin-4-yl)methyl]carbamate
CID 79348727

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide (CID 118688704) is 4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide is CCN1CCC(CNC(=O)N2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is ZMVYTGBZJUGBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-5-20-10-6-15(7-11-20)14-19-17(22)21-12-8-16(9-13-21)18(2,3)4/h15-16H,5-14H2,1-4H3,(H,19,22).
What are the key properties of 4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 309.50 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 118688704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).