N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide

C16H26N2O2 — CID 122566890

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide
SMILESO=C(N[C@@H]1CCNC[C@H]1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c19-14-9-17-2-1-13(14)18-15(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-14,17,19H,1-9H2,(H,18,20)/t10?,11?,12?,13-,14-,16?/m1/s1
InChIKeyTZARZZKDVLKMCQ-GQWBEDRXSA-N
MW278.40 g/mol
LogP1.04
Rot. Bonds2

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide (PubChem CID 122566890) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide
PubChem CID122566890
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide
SMILESO=C(N[C@@H]1CCNC[C@H]1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c19-14-9-17-2-1-13(14)18-15(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-14,17,19H,1-9H2,(H,18,20)/t10?,11?,12?,13-,14-,16?/m1/s1
InChIKeyTZARZZKDVLKMCQ-GQWBEDRXSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(adamantane-1-carbonylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]adamantane-1-carboxamide
CID 171722406
3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
CID 120555000
N-[3-methyl-1-[(3-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 120554576
N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride
CID 119462908
1-(1-adamantyl)-3-(3-methylpiperidin-4-yl)urea
CID 79872877
N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
CID 79997798
N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide
CID 106444137
N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide
CID 94043121
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200
(1R,7R)-7-(2-chloroethyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 137436151
N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide
CID 107222088

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide (CID 122566890) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide is O=C(N[C@@H]1CCNC[C@H]1O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide?
The InChIKey is TZARZZKDVLKMCQ-GQWBEDRXSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-14-9-17-2-1-13(14)18-15(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-14,17,19H,1-9H2,(H,18,20)/t10?,11?,12?,13-,14-,16?/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide is sourced from PubChem (CID 122566890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).