N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide

C21H30FN5O — CID 59144756

IUPACN-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide
SMILESO=C(NCCN1CCN(c2ncc(F)cn2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30FN5O/c22-18-13-24-20(25-14-18)27-5-3-26(4-6-27)2-1-23-19(28)21-10-15-7-16(11-21)9-17(8-15)12-21/h13-17H,1-12H2,(H,23,28)
InChIKeyDBNRXDVBBVEVJS-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.07
Rot. Bonds5

About N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide

N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide (PubChem CID 59144756) has the molecular formula C21H30FN5O and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide
PubChem CID59144756
Molecular FormulaC21H30FN5O
Molecular Weight387.50 g/mol
Exact Mass387.24
IUPAC NameN-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide
SMILESO=C(NCCN1CCN(c2ncc(F)cn2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30FN5O/c22-18-13-24-20(25-14-18)27-5-3-26(4-6-27)2-1-23-19(28)21-10-15-7-16(11-21)9-17(8-15)12-21/h13-17H,1-12H2,(H,23,28)
InChIKeyDBNRXDVBBVEVJS-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide (CID 59144756) is N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide is O=C(NCCN1CCN(c2ncc(F)cn2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide?
The InChIKey is DBNRXDVBBVEVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN5O/c22-18-13-24-20(25-14-18)27-5-3-26(4-6-27)2-1-23-19(28)21-10-15-7-16(11-21)9-17(8-15)12-21/h13-17H,1-12H2,(H,23,28).
What are the key properties of N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide?
N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide has a molecular weight of 387.50 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 59144756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).