N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide

C27H32ClN3O2 — CID 68876315

IUPACN-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide
SMILESO=C(NC1CCCN(c2ccc(-c3ccc(Cl)cc3)cn2)C1)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C27H32ClN3O2/c28-22-6-3-18(4-7-22)19-5-8-24(29-15-19)31-9-1-2-23(16-31)30-26(33)27-12-17-10-20(13-27)25(32)21(11-17)14-27/h3-8,15,17,20-21,23,25,32H,1-2,9-14,16H2,(H,30,33)
InChIKeyFBKQCPHLULKRCJ-UHFFFAOYSA-N
MW466.03 g/mol
LogP4.67
Rot. Bonds4

About N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide

N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide (PubChem CID 68876315) has the molecular formula C27H32ClN3O2 and a molecular weight of 466.03 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide
PubChem CID68876315
Molecular FormulaC27H32ClN3O2
Molecular Weight466.03 g/mol
Exact Mass465.22
IUPAC NameN-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide
SMILESO=C(NC1CCCN(c2ccc(-c3ccc(Cl)cc3)cn2)C1)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C27H32ClN3O2/c28-22-6-3-18(4-7-22)19-5-8-24(29-15-19)31-9-1-2-23(16-31)30-26(33)27-12-17-10-20(13-27)25(32)21(11-17)14-27/h3-8,15,17,20-21,23,25,32H,1-2,9-14,16H2,(H,30,33)
InChIKeyFBKQCPHLULKRCJ-UHFFFAOYSA-N
XLogP4.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.03
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide (CID 68876315) is N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide is O=C(NC1CCCN(c2ccc(-c3ccc(Cl)cc3)cn2)C1)C12CC3CC(C1)C(O)C(C3)C2.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide?
The InChIKey is FBKQCPHLULKRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O2/c28-22-6-3-18(4-7-22)19-5-8-24(29-15-19)31-9-1-2-23(16-31)30-26(33)27-12-17-10-20(13-27)25(32)21(11-17)14-27/h3-8,15,17,20-21,23,25,32H,1-2,9-14,16H2,(H,30,33).
What are the key properties of N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide?
N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide has a molecular weight of 466.03 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 68876315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).