N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide

C26H36N4O5 — CID 69184886

IUPACN-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide
SMILESO=C(c1ccco1)N1CCN(C(=O)N2CCCC(NC(=O)C34CC5CC(C3)C(O)C(C5)C4)C2)CC1
InChIInChI=1S/C26H36N4O5/c31-22-18-11-17-12-19(22)15-26(13-17,14-18)24(33)27-20-3-1-5-30(16-20)25(34)29-8-6-28(7-9-29)23(32)21-4-2-10-35-21/h2,4,10,17-20,22,31H,1,3,5-9,11-16H2,(H,27,33)
InChIKeyFGLXZSZOOZRZAL-UHFFFAOYSA-N
MW484.60 g/mol
LogP1.93
Rot. Bonds3

About N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide

N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide (PubChem CID 69184886) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide
PubChem CID69184886
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC NameN-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide
SMILESO=C(c1ccco1)N1CCN(C(=O)N2CCCC(NC(=O)C34CC5CC(C3)C(O)C(C5)C4)C2)CC1
InChIInChI=1S/C26H36N4O5/c31-22-18-11-17-12-19(22)15-26(13-17,14-18)24(33)27-20-3-1-5-30(16-20)25(34)29-8-6-28(7-9-29)23(32)21-4-2-10-35-21/h2,4,10,17-20,22,31H,1,3,5-9,11-16H2,(H,27,33)
InChIKeyFGLXZSZOOZRZAL-UHFFFAOYSA-N
XLogP1.93
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 42938304
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 38910053
(5S,7R)-3-acetamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
CID 25495003
methyl N-[4-[(3S)-3-[(4-hydroxyadamantane-1-carbonyl)amino]piperidin-1-yl]phenyl]carbamate
CID 58656254
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
N-[1-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide
CID 68876315
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 131918980
N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 131907567
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide?
The IUPAC name of N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide (CID 69184886) is N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide?
The canonical SMILES for N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide is O=C(c1ccco1)N1CCN(C(=O)N2CCCC(NC(=O)C34CC5CC(C3)C(O)C(C5)C4)C2)CC1.
What is the InChIKey of N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide?
The InChIKey is FGLXZSZOOZRZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c31-22-18-11-17-12-19(22)15-26(13-17,14-18)24(33)27-20-3-1-5-30(16-20)25(34)29-8-6-28(7-9-29)23(32)21-4-2-10-35-21/h2,4,10,17-20,22,31H,1,3,5-9,11-16H2,(H,27,33).
What are the key properties of N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide?
N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 69184886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).