1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide

C19H29N3O3 — CID 4782419

IUPAC1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C19H29N3O3/c20-17(24)15-2-1-3-22(11-15)16(23)10-21-18(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h12-15H,1-11H2,(H2,20,24)(H,21,25)
InChIKeyKORDBRJHKOXXRW-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.04
Rot. Bonds4

About 1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide

1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide (PubChem CID 4782419) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide
PubChem CID4782419
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C19H29N3O3/c20-17(24)15-2-1-3-22(11-15)16(23)10-21-18(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h12-15H,1-11H2,(H2,20,24)(H,21,25)
InChIKeyKORDBRJHKOXXRW-UHFFFAOYSA-N
XLogP1.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide (CID 4782419) is 1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide?
The InChIKey is KORDBRJHKOXXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c20-17(24)15-2-1-3-22(11-15)16(23)10-21-18(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h12-15H,1-11H2,(H2,20,24)(H,21,25).
What are the key properties of 1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide?
1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 4782419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).