N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide

C22H37N3O2 — CID 3221028

IUPACN-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide
SMILESCC(C)(C)NC(=O)CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H37N3O2/c1-21(2,3)24-19(26)14-25-6-4-18(5-7-25)23-20(27)22-11-15-8-16(12-22)10-17(9-15)13-22/h15-18H,4-14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyIGEPPDIZCCMSSQ-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.70
Rot. Bonds4

About N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide

N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide (PubChem CID 3221028) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide
PubChem CID3221028
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC NameN-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide
SMILESCC(C)(C)NC(=O)CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H37N3O2/c1-21(2,3)24-19(26)14-25-6-4-18(5-7-25)23-20(27)22-11-15-8-16(12-22)10-17(9-15)13-22/h15-18H,4-14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyIGEPPDIZCCMSSQ-UHFFFAOYSA-N
XLogP2.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide (CID 3221028) is N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide is CC(C)(C)NC(=O)CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide?
The InChIKey is IGEPPDIZCCMSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-21(2,3)24-19(26)14-25-6-4-18(5-7-25)23-20(27)22-11-15-8-16(12-22)10-17(9-15)13-22/h15-18H,4-14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide?
N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide has a molecular weight of 375.56 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide is sourced from PubChem (CID 3221028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).