1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide

C21H33N3O2 — CID 119389342

IUPAC1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCNCC1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H33N3O2/c25-19(23-17-3-5-22-6-4-17)18-2-1-7-24(18)20(26)21-11-14-8-15(12-21)10-16(9-14)13-21/h14-18,22H,1-13H2,(H,23,25)
InChIKeyKEXOUYAPVDJPOA-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.06
Rot. Bonds3

About 1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 119389342) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID119389342
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCNCC1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H33N3O2/c25-19(23-17-3-5-22-6-4-17)18-2-1-7-24(18)20(26)21-11-14-8-15(12-21)10-16(9-14)13-21/h14-18,22H,1-13H2,(H,23,25)
InChIKeyKEXOUYAPVDJPOA-UHFFFAOYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 119402982
N-cyclopropyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 61029481
1-(adamantane-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119537044
1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 60569039
1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503305
1-(adamantane-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 119513584
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326
1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119508361
1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide
CID 75364676
1-(adamantane-1-carbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 75361991
1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55609544
(2S)-1-(adamantane-1-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 41271496

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide (CID 119389342) is 1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide is O=C(NC1CCNCC1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is KEXOUYAPVDJPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c25-19(23-17-3-5-22-6-4-17)18-2-1-7-24(18)20(26)21-11-14-8-15(12-21)10-16(9-14)13-21/h14-18,22H,1-13H2,(H,23,25).
What are the key properties of 1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119389342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).