(2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide

C19H31N3O2 — CID 9345879

IUPAC(2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide
SMILESC[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-13(22-5-3-2-4-6-22)17(23)20-18(24)21-19-10-14-7-15(11-19)9-16(8-14)12-19/h13-16H,2-12H2,1H3,(H2,20,21,23,24)/t13-,14?,15?,16?,19?/m1/s1
InChIKeySRENOJTZVLVENH-PGBRGIIUSA-N
MW333.48 g/mol
LogP2.66
Rot. Bonds3

About (2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide

(2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide (PubChem CID 9345879) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide
PubChem CID9345879
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide
SMILESC[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-13(22-5-3-2-4-6-22)17(23)20-18(24)21-19-10-14-7-15(11-19)9-16(8-14)12-19/h13-16H,2-12H2,1H3,(H2,20,21,23,24)/t13-,14?,15?,16?,19?/m1/s1
InChIKeySRENOJTZVLVENH-PGBRGIIUSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide?
The IUPAC name of (2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide (CID 9345879) is (2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide.
What is the SMILES notation for (2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide?
The canonical SMILES for (2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide is C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCC1.
What is the InChIKey of (2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide?
The InChIKey is SRENOJTZVLVENH-PGBRGIIUSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(22-5-3-2-4-6-22)17(23)20-18(24)21-19-10-14-7-15(11-19)9-16(8-14)12-19/h13-16H,2-12H2,1H3,(H2,20,21,23,24)/t13-,14?,15?,16?,19?/m1/s1.
What are the key properties of (2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide?
(2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide has a molecular weight of 333.48 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantylcarbamoyl)-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 9345879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).