N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride

C17H29ClN2O — CID 119462908

IUPACN-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O.ClH/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17;/h12-15,18H,1-11H2,(H,19,20);1H
InChIKeyJXGIHRDCJITXFR-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.74
Rot. Bonds3

About N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride

N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride (PubChem CID 119462908) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride
PubChem CID119462908
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC NameN-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O.ClH/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17;/h12-15,18H,1-11H2,(H,19,20);1H
InChIKeyJXGIHRDCJITXFR-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide
CID 62541274
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide;hydrochloride
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2,2,3,3-tetramethyl-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 66475790
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
CID 117126374
2-(1-adamantyl)-6-oxo-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 97137563
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride (CID 119462908) is N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride?
The InChIKey is JXGIHRDCJITXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17;/h12-15,18H,1-11H2,(H,19,20);1H.
What are the key properties of N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride?
N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119462908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).