N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C15H25N3O2 — CID 124618478

IUPACN-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESC#C[C@@H](C)NC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H25N3O2/c1-3-13(2)16-15(19)18-6-4-14(5-7-18)12-17-8-10-20-11-9-17/h1,13-14H,4-12H2,2H3,(H,16,19)/t13-/m1/s1
InChIKeyXITGGSRZLBMPDP-CYBMUJFWSA-N
MW279.38 g/mol
LogP0.76
Rot. Bonds3

About N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 124618478) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID124618478
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESC#C[C@@H](C)NC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H25N3O2/c1-3-13(2)16-15(19)18-6-4-14(5-7-18)12-17-8-10-20-11-9-17/h1,13-14H,4-12H2,2H3,(H,16,19)/t13-/m1/s1
InChIKeyXITGGSRZLBMPDP-CYBMUJFWSA-N
XLogP0.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 110624587
N-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 55793748
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 81087000
2-amino-2-cyclopropyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60964191
N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 46275369
N-[(2R)-but-3-yn-2-yl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99827132
2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328262
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
3-[1-(but-3-yn-2-ylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 114418420

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 124618478) is N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is C#C[C@@H](C)NC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is XITGGSRZLBMPDP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-13(2)16-15(19)18-6-4-14(5-7-18)12-17-8-10-20-11-9-17/h1,13-14H,4-12H2,2H3,(H,16,19)/t13-/m1/s1.
What are the key properties of N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-but-3-yn-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 124618478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).