N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

C24H33N3O2 — CID 119387048

IUPACN-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O2/c28-22(27-21-5-7-25-8-6-21)20-3-1-16(2-4-20)15-26-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19,21,25H,5-15H2,(H,26,29)(H,27,28)
InChIKeyNIIQWPKVPYFFHF-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.00
Rot. Bonds5

About N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide (PubChem CID 119387048) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
PubChem CID119387048
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O2/c28-22(27-21-5-7-25-8-6-21)20-3-1-16(2-4-20)15-26-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19,21,25H,5-15H2,(H,26,29)(H,27,28)
InChIKeyNIIQWPKVPYFFHF-UHFFFAOYSA-N
XLogP3.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[2-(methylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide;hydrochloride
CID 119501131
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 18107557
4-[(2,2-dimethylpropanoylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450570
4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452392
N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 37018670
N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47729435
N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 46612410
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 37424907

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide (CID 119387048) is N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide is O=C(NC1CCNCC1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is NIIQWPKVPYFFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c28-22(27-21-5-7-25-8-6-21)20-3-1-16(2-4-20)15-26-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19,21,25H,5-15H2,(H,26,29)(H,27,28).
What are the key properties of N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 119387048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).