4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide

C24H40N4O2 — CID 86937373

IUPAC4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide
SMILESCCN1CCCCC1CNC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H40N4O2/c1-2-26-6-4-3-5-21(26)17-25-23(30)28-9-7-27(8-10-28)22(29)24-14-18-11-19(15-24)13-20(12-18)16-24/h18-21H,2-17H2,1H3,(H,25,30)
InChIKeyGLLSEROGDAQLIW-UHFFFAOYSA-N
MW416.61 g/mol
LogP2.93
Rot. Bonds4

About 4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide

4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 86937373) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is 4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide
PubChem CID86937373
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide
SMILESCCN1CCCCC1CNC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H40N4O2/c1-2-26-6-4-3-5-21(26)17-25-23(30)28-9-7-27(8-10-28)22(29)24-14-18-11-19(15-24)13-20(12-18)16-24/h18-21H,2-17H2,1H3,(H,25,30)
InChIKeyGLLSEROGDAQLIW-UHFFFAOYSA-N
XLogP2.93
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide
CID 51074621
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
N-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 126787790
1-adamantyl(azepan-1-yl)methanone
CID 2838808
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61191761
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145708
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 7471137
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 96516582
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64564669
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
CID 119875446
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911

Frequently Asked Questions

What is the IUPAC name of 4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide (CID 86937373) is 4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide is CCN1CCCCC1CNC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is GLLSEROGDAQLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-2-26-6-4-3-5-21(26)17-25-23(30)28-9-7-27(8-10-28)22(29)24-14-18-11-19(15-24)13-20(12-18)16-24/h18-21H,2-17H2,1H3,(H,25,30).
What are the key properties of 4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide?
4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 416.61 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(adamantane-1-carbonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86937373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).