N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide

C21H33N3O3 — CID 653691

IUPACN-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
SMILESO=C(N1CCOCC1)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H33N3O3/c25-19(21-12-15-9-16(13-21)11-17(10-15)14-21)22-18-1-3-23(4-2-18)20(26)24-5-7-27-8-6-24/h15-18H,1-14H2,(H,22,25)
InChIKeyWPSQAOYNICTTJQ-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.24
Rot. Bonds2

About N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide

N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide (PubChem CID 653691) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
PubChem CID653691
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
SMILESO=C(N1CCOCC1)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H33N3O3/c25-19(21-12-15-9-16(13-21)11-17(10-15)14-21)22-18-1-3-23(4-2-18)20(26)24-5-7-27-8-6-24/h15-18H,1-14H2,(H,22,25)
InChIKeyWPSQAOYNICTTJQ-UHFFFAOYSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide (CID 653691) is N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide is O=C(N1CCOCC1)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide?
The InChIKey is WPSQAOYNICTTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c25-19(21-12-15-9-16(13-21)11-17(10-15)14-21)22-18-1-3-23(4-2-18)20(26)24-5-7-27-8-6-24/h15-18H,1-14H2,(H,22,25).
What are the key properties of N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide?
N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(morpholine-4-carbonyl)piperidin-4-yl]adamantane-1-carboxamide is sourced from PubChem (CID 653691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).