N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide

C14H23N3O2 — CID 146083594

IUPACN-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCN(CCN2CCOCC2)C1
InChIInChI=1S/C14H23N3O2/c1-2-3-14(18)15-13-4-5-17(12-13)7-6-16-8-10-19-11-9-16/h13H,4-12H2,1H3,(H,15,18)
InChIKeyDDSZOIOUGJKMBP-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.47
Rot. Bonds4

About N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide

N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide (PubChem CID 146083594) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide
PubChem CID146083594
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCN(CCN2CCOCC2)C1
InChIInChI=1S/C14H23N3O2/c1-2-3-14(18)15-13-4-5-17(12-13)7-6-16-8-10-19-11-9-16/h13H,4-12H2,1H3,(H,15,18)
InChIKeyDDSZOIOUGJKMBP-UHFFFAOYSA-N
XLogP-0.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 129352911
3-bromo-N-(1-propylpyrrolidin-3-yl)prop-2-ynamide
CID 131113545
N-methyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 60819990
3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
CID 95628573
6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167792952
3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167976644
2-hydroxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167938541
8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167943617
2-methyl-1-(4-morpholin-4-ylbutyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111915288
N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
CID 23450282
N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide
CID 166418556
2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 167774541

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide?
The IUPAC name of N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide (CID 146083594) is N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide.
What is the SMILES notation for N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide?
The canonical SMILES for N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide is CC#CC(=O)NC1CCN(CCN2CCOCC2)C1.
What is the InChIKey of N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide?
The InChIKey is DDSZOIOUGJKMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-14(18)15-13-4-5-17(12-13)7-6-16-8-10-19-11-9-16/h13H,4-12H2,1H3,(H,15,18).
What are the key properties of N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide?
N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide has a molecular weight of 265.36 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide is sourced from PubChem (CID 146083594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).