N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C21H35N3O2 — CID 46275369

IUPACN-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C21H35N3O2/c25-20(22-21-12-17-9-18(13-21)11-19(10-17)14-21)24-3-1-16(2-4-24)15-23-5-7-26-8-6-23/h16-19H,1-15H2,(H,22,25)
InChIKeyOZECWGKJGGWREV-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.71
Rot. Bonds3

About N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 46275369) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID46275369
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C21H35N3O2/c25-20(22-21-12-17-9-18(13-21)11-19(10-17)14-21)24-3-1-16(2-4-24)15-23-5-7-26-8-6-23/h16-19H,1-15H2,(H,22,25)
InChIKeyOZECWGKJGGWREV-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 55793748
N-butan-2-yl-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 110624587
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride
CID 154904087
3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 54876000
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide
CID 108895998
N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 124618478
N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165113
2-amino-2-cyclopropyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60964191
[1-(aminomethyl)cyclopropyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 115452907
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 46275369) is N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is OZECWGKJGGWREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c25-20(22-21-12-17-9-18(13-21)11-19(10-17)14-21)24-3-1-16(2-4-24)15-23-5-7-26-8-6-23/h16-19H,1-15H2,(H,22,25).
What are the key properties of N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 46275369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).