1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide

C22H33N3O3 — CID 51969018

IUPAC1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H33N3O3/c23-19(26)17-3-6-24(7-4-17)20(27)18-2-1-5-25(18)21(28)22-11-14-8-15(12-22)10-16(9-14)13-22/h14-18H,1-13H2,(H2,23,26)/t14?,15?,16?,18-,22?/m0/s1
InChIKeyWVAPZTMLZQQEGB-CONPEVPGSA-N
MW387.52 g/mol
LogP1.92
Rot. Bonds3

About 1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide

1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 51969018) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
PubChem CID51969018
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H33N3O3/c23-19(26)17-3-6-24(7-4-17)20(27)18-2-1-5-25(18)21(28)22-11-14-8-15(12-22)10-16(9-14)13-22/h14-18H,1-13H2,(H2,23,26)/t14?,15?,16?,18-,22?/m0/s1
InChIKeyWVAPZTMLZQQEGB-CONPEVPGSA-N
XLogP1.92
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.92
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-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 119402982
2-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-methylpropanamide
CID 75534006
[(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)pyrrolidin-2-yl]-[3-(aminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119486324
[(2S)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
CID 95668203
1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496847
1-(adamantane-1-carbonyl)piperidine-3-carboxamide
CID 128950015
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
2-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55372659

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide (CID 51969018) is 1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is WVAPZTMLZQQEGB-CONPEVPGSA-N. The full InChI is InChI=1S/C22H33N3O3/c23-19(26)17-3-6-24(7-4-17)20(27)18-2-1-5-25(18)21(28)22-11-14-8-15(12-22)10-16(9-14)13-22/h14-18H,1-13H2,(H2,23,26)/t14?,15?,16?,18-,22?/m0/s1.
What are the key properties of 1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 51969018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).