N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide

C22H29N3O3 — CID 55847878

IUPACN-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC1CCN(CCCCNC(=O)c2cccc(NC(=O)c3ccco3)c2)CC1
InChIInChI=1S/C22H29N3O3/c1-17-9-13-25(14-10-17)12-3-2-11-23-21(26)18-6-4-7-19(16-18)24-22(27)20-8-5-15-28-20/h4-8,15-17H,2-3,9-14H2,1H3,(H,23,26)(H,24,27)
InChIKeySEGIVZJWZDFWBF-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.77
Rot. Bonds8

About N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide

N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55847878) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55847878
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC1CCN(CCCCNC(=O)c2cccc(NC(=O)c3ccco3)c2)CC1
InChIInChI=1S/C22H29N3O3/c1-17-9-13-25(14-10-17)12-3-2-11-23-21(26)18-6-4-7-19(16-18)24-22(27)20-8-5-15-28-20/h4-8,15-17H,2-3,9-14H2,1H3,(H,23,26)(H,24,27)
InChIKeySEGIVZJWZDFWBF-UHFFFAOYSA-N
XLogP3.77
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111386974
3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47050208
N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide
CID 86996575
N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46523666
N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
CID 55742434
N-[3-[[(2R)-4-methylmorpholin-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 94816221
N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55843395
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3-[[[ethylamino-[3-(4-methylpiperidin-1-yl)propylamino]methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 111387719
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843328

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide (CID 55847878) is N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide is CC1CCN(CCCCNC(=O)c2cccc(NC(=O)c3ccco3)c2)CC1.
What is the InChIKey of N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is SEGIVZJWZDFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-9-13-25(14-10-17)12-3-2-11-23-21(26)18-6-4-7-19(16-18)24-22(27)20-8-5-15-28-20/h4-8,15-17H,2-3,9-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide?
N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55847878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).