1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C26H40N4O4 — CID 55496847

IUPAC1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C26H40N4O4/c31-23(18-27-8-10-34-11-9-27)28-4-6-29(7-5-28)24(32)22-2-1-3-30(22)25(33)26-15-19-12-20(16-26)14-21(13-19)17-26/h19-22H,1-18H2
InChIKeyJZSWZKZSOWQOLT-UHFFFAOYSA-N
MW472.63 g/mol
LogP1.20
Rot. Bonds4

About 1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55496847) has the molecular formula C26H40N4O4 and a molecular weight of 472.63 g/mol. Its IUPAC name is 1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55496847
Molecular FormulaC26H40N4O4
Molecular Weight472.63 g/mol
Exact Mass472.30
IUPAC Name1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C26H40N4O4/c31-23(18-27-8-10-34-11-9-27)28-4-6-29(7-5-28)24(32)22-2-1-3-30(22)25(33)26-15-19-12-20(16-26)14-21(13-19)17-26/h19-22H,1-18H2
InChIKeyJZSWZKZSOWQOLT-UHFFFAOYSA-N
XLogP1.20
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512274
2-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55372659
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 119402982
1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 51969018
1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55608140
[(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 124628785
[(2S)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 36713542
2-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-methylpropanamide
CID 75534006
4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
CID 119238863
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 60556534
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(aminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119486324
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86973877

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 55496847) is 1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(C(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is JZSWZKZSOWQOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O4/c31-23(18-27-8-10-34-11-9-27)28-4-6-29(7-5-28)24(32)22-2-1-3-30(22)25(33)26-15-19-12-20(16-26)14-21(13-19)17-26/h19-22H,1-18H2.
What are the key properties of 1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 472.63 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55496847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).