N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide

C20H34N2O — CID 16895425

IUPACN-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide
SMILESCC(C)N1CCC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H34N2O/c1-14(2)22-5-3-15(4-6-22)13-21-19(23)20-10-16-7-17(11-20)9-18(8-16)12-20/h14-18H,3-13H2,1-2H3,(H,21,23)
InChIKeyPKHRGNORHDGFHA-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.44
Rot. Bonds4

About N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide

N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide (PubChem CID 16895425) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide
PubChem CID16895425
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide
SMILESCC(C)N1CCC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H34N2O/c1-14(2)22-5-3-15(4-6-22)13-21-19(23)20-10-16-7-17(11-20)9-18(8-16)12-20/h14-18H,3-13H2,1-2H3,(H,21,23)
InChIKeyPKHRGNORHDGFHA-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide (CID 16895425) is N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide is CC(C)N1CCC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide?
The InChIKey is PKHRGNORHDGFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-14(2)22-5-3-15(4-6-22)13-21-19(23)20-10-16-7-17(11-20)9-18(8-16)12-20/h14-18H,3-13H2,1-2H3,(H,21,23).
What are the key properties of N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide?
N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide has a molecular weight of 318.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-4-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 16895425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).