N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide

C25H28N2O4 — CID 42122370

IUPACN-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide
SMILESCC#CCN(Cc1ccco1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C25H28N2O4/c1-2-3-14-27(18-23-5-4-17-30-23)25(29)20-8-10-21(11-9-20)31-22-12-15-26(16-13-22)24(28)19-6-7-19/h4-5,8-11,17,19,22H,6-7,12-16,18H2,1H3
InChIKeyNUDUKYVLZSMEEN-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.73
Rot. Bonds7

About N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide

N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide (PubChem CID 42122370) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide
PubChem CID42122370
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide
SMILESCC#CCN(Cc1ccco1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C25H28N2O4/c1-2-3-14-27(18-23-5-4-17-30-23)25(29)20-8-10-21(11-9-20)31-22-12-15-26(16-13-22)24(28)19-6-7-19/h4-5,8-11,17,19,22H,6-7,12-16,18H2,1H3
InChIKeyNUDUKYVLZSMEEN-UHFFFAOYSA-N
XLogP3.73
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 45200875
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 72844969
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
CID 26396856
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 42189573
cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42466727
N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-4-propoxybenzamide
CID 19243761
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 72887706

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide (CID 42122370) is N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide is CC#CCN(Cc1ccco1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide?
The InChIKey is NUDUKYVLZSMEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-2-3-14-27(18-23-5-4-17-30-23)25(29)20-8-10-21(11-9-20)31-22-12-15-26(16-13-22)24(28)19-6-7-19/h4-5,8-11,17,19,22H,6-7,12-16,18H2,1H3.
What are the key properties of N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide?
N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide has a molecular weight of 420.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 42122370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).