N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide

C24H37N3O4 — CID 30208000

IUPACN-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide
SMILESO=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H37N3O4/c28-21(26-5-2-20(3-6-26)22(29)27-7-9-31-10-8-27)1-4-25-23(30)24-14-17-11-18(15-24)13-19(12-17)16-24/h17-20H,1-16H2,(H,25,30)
InChIKeyRDAKELLHHNIHIT-UHFFFAOYSA-N
MW431.58 g/mol
LogP1.81
Rot. Bonds5

About N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 30208000) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID30208000
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC NameN-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide
SMILESO=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H37N3O4/c28-21(26-5-2-20(3-6-26)22(29)27-7-9-31-10-8-27)1-4-25-23(30)24-14-17-11-18(15-24)13-19(12-17)16-24/h17-20H,1-16H2,(H,25,30)
InChIKeyRDAKELLHHNIHIT-UHFFFAOYSA-N
XLogP1.81
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide (CID 30208000) is N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide is O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is RDAKELLHHNIHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4/c28-21(26-5-2-20(3-6-26)22(29)27-7-9-31-10-8-27)1-4-25-23(30)24-14-17-11-18(15-24)13-19(12-17)16-24/h17-20H,1-16H2,(H,25,30).
What are the key properties of N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 30208000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).