N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide

C25H35N3O2 — CID 30134734

IUPACN-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESCCN1CCC(NC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1
InChIInChI=1S/C25H35N3O2/c1-2-28-9-7-22(8-10-28)26-23(29)20-3-5-21(6-4-20)27-24(30)25-14-17-11-18(15-25)13-19(12-17)16-25/h3-6,17-19,22H,2,7-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyDIHCUSVMIVPWDB-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.06
Rot. Bonds5

About N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide

N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide (PubChem CID 30134734) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide
PubChem CID30134734
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESCCN1CCC(NC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1
InChIInChI=1S/C25H35N3O2/c1-2-28-9-7-22(8-10-28)26-23(29)20-3-5-21(6-4-20)27-24(30)25-14-17-11-18(15-25)13-19(12-17)16-25/h3-6,17-19,22H,2,7-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyDIHCUSVMIVPWDB-UHFFFAOYSA-N
XLogP4.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-[4-(adamantane-1-carbonylamino)piperidin-1-yl]acetyl]amino]benzoate
CID 3220815
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide
CID 17449412
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
CID 17180551
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-4-bromobenzamide
CID 108550551
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide (CID 30134734) is N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide is CCN1CCC(NC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1.
What is the InChIKey of N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide?
The InChIKey is DIHCUSVMIVPWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-2-28-9-7-22(8-10-28)26-23(29)20-3-5-21(6-4-20)27-24(30)25-14-17-11-18(15-25)13-19(12-17)16-25/h3-6,17-19,22H,2,7-16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide?
N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide has a molecular weight of 409.57 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 30134734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).