[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C20H31N3O2 — CID 119402982

IUPAC[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CCNCC1
InChIInChI=1S/C20H31N3O2/c24-18(22-6-3-21-4-7-22)17-2-1-5-23(17)19(25)20-11-14-8-15(12-20)10-16(9-14)13-20/h14-17,21H,1-13H2
InChIKeyRNLSOCROUHKJHK-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.63
Rot. Bonds2

About [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 119402982) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID119402982
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CCNCC1
InChIInChI=1S/C20H31N3O2/c24-18(22-6-3-21-4-7-22)17-2-1-5-23(17)19(25)20-11-14-8-15(12-20)10-16(9-14)13-20/h14-17,21H,1-13H2
InChIKeyRNLSOCROUHKJHK-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512274
1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 51969018
[(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
1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide
CID 119389342
2-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-methylpropanamide
CID 75534006
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911
1-adamantyl(piperazin-1-yl)methanone;hydrochloride
CID 17233942
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(aminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119486324
1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496847
4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
CID 119238863
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326

Frequently Asked Questions

What is the IUPAC name of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 119402982) is [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is O=C(C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CCNCC1.
What is the InChIKey of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is RNLSOCROUHKJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-18(22-6-3-21-4-7-22)17-2-1-5-23(17)19(25)20-11-14-8-15(12-20)10-16(9-14)13-20/h14-17,21H,1-13H2.
What are the key properties of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 345.49 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119402982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).