1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid

C17H25NO3 — CID 16774066

IUPAC1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H25NO3/c19-15(20)14-1-3-18(4-2-14)16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H,19,20)
InChIKeyZSYHFADKCBKQGJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.53
Rot. Bonds2

About 1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid

1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 16774066) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID16774066
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H25NO3/c19-15(20)14-1-3-18(4-2-14)16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H,19,20)
InChIKeyZSYHFADKCBKQGJ-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid (CID 16774066) is 1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is ZSYHFADKCBKQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-15(20)14-1-3-18(4-2-14)16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H,19,20).
What are the key properties of 1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid?
1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 16774066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).