(3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide

C25H38N4O4 — CID 71198037

IUPAC(3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide
SMILESO=C1CC2(CCN(C(=O)N3CCC[C@H](NC(=O)C45CC6CC(C4)C(O)[C@H](C6)C5)C3)CC2)CN1
InChIInChI=1S/C25H38N4O4/c30-20-13-24(15-26-20)3-6-28(7-4-24)23(33)29-5-1-2-19(14-29)27-22(32)25-10-16-8-17(11-25)21(31)18(9-16)12-25/h16-19,21,31H,1-15H2,(H,26,30)(H,27,32)/t16?,17-,18?,19+,21?,25?/m1/s1
InChIKeyICMRGJJUJJBEAO-MODFROJCSA-N
MW458.60 g/mol
LogP1.48
Rot. Bonds2

About (3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide

(3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide (PubChem CID 71198037) has the molecular formula C25H38N4O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is (3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound Name(3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide
PubChem CID71198037
Molecular FormulaC25H38N4O4
Molecular Weight458.60 g/mol
Exact Mass458.29
IUPAC Name(3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide
SMILESO=C1CC2(CCN(C(=O)N3CCC[C@H](NC(=O)C45CC6CC(C4)C(O)[C@H](C6)C5)C3)CC2)CN1
InChIInChI=1S/C25H38N4O4/c30-20-13-24(15-26-20)3-6-28(7-4-24)23(33)29-5-1-2-19(14-29)27-22(32)25-10-16-8-17(11-25)21(31)18(9-16)12-25/h16-19,21,31H,1-15H2,(H,26,30)(H,27,32)/t16?,17-,18?,19+,21?,25?/m1/s1
InChIKeyICMRGJJUJJBEAO-MODFROJCSA-N
XLogP1.48
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide?
The IUPAC name of (3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide (CID 71198037) is (3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for (3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for (3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide is O=C1CC2(CCN(C(=O)N3CCC[C@H](NC(=O)C45CC6CC(C4)C(O)[C@H](C6)C5)C3)CC2)CN1.
What is the InChIKey of (3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide?
The InChIKey is ICMRGJJUJJBEAO-MODFROJCSA-N. The full InChI is InChI=1S/C25H38N4O4/c30-20-13-24(15-26-20)3-6-28(7-4-24)23(33)29-5-1-2-19(14-29)27-22(32)25-10-16-8-17(11-25)21(31)18(9-16)12-25/h16-19,21,31H,1-15H2,(H,26,30)(H,27,32)/t16?,17-,18?,19+,21?,25?/m1/s1.
What are the key properties of (3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide?
(3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-hydroxy-N-[(3S)-1-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 71198037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).