N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide

C24H37N3O4 — CID 30208148

IUPACN-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H37N3O4/c1-16(25-23(30)24-13-17-10-18(14-24)12-19(11-17)15-24)21(28)26-4-2-20(3-5-26)22(29)27-6-8-31-9-7-27/h16-20H,2-15H2,1H3,(H,25,30)/t16-,17?,18?,19?,24?/m0/s1
InChIKeyQZBNGBZKPMUXBW-RNXZQOMOSA-N
MW431.58 g/mol
LogP1.80
Rot. Bonds4

About N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide

N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide (PubChem CID 30208148) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide
PubChem CID30208148
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC NameN-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H37N3O4/c1-16(25-23(30)24-13-17-10-18(14-24)12-19(11-17)15-24)21(28)26-4-2-20(3-5-26)22(29)27-6-8-31-9-7-27/h16-20H,2-15H2,1H3,(H,25,30)/t16-,17?,18?,19?,24?/m0/s1
InChIKeyQZBNGBZKPMUXBW-RNXZQOMOSA-N
XLogP1.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide (CID 30208148) is N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide is C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The InChIKey is QZBNGBZKPMUXBW-RNXZQOMOSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-16(25-23(30)24-13-17-10-18(14-24)12-19(11-17)15-24)21(28)26-4-2-20(3-5-26)22(29)27-6-8-31-9-7-27/h16-20H,2-15H2,1H3,(H,25,30)/t16-,17?,18?,19?,24?/m0/s1.
What are the key properties of N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide?
N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 30208148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).