3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide

C18H29N3O3 — CID 119798362

IUPAC3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H29N3O3/c1-13-6-11-24-17(13)18(23)21-8-3-7-20-16(22)12-14(2)15-4-9-19-10-5-15/h6,11,14-15,19H,3-5,7-10,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRJGZFQKQJNTVBJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.85
Rot. Bonds8

About 3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide

3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide (PubChem CID 119798362) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide
PubChem CID119798362
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H29N3O3/c1-13-6-11-24-17(13)18(23)21-8-3-7-20-16(22)12-14(2)15-4-9-19-10-5-15/h6,11,14-15,19H,3-5,7-10,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRJGZFQKQJNTVBJ-UHFFFAOYSA-N
XLogP1.85
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119798376
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119798351
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119785718
N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119951886
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578
4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424
N-[3-(2-methoxyethoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119693914
3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide
CID 119854588
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide (CID 119798362) is 3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCCCNC(=O)CC(C)C1CCNCC1.
What is the InChIKey of 3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide?
The InChIKey is RJGZFQKQJNTVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13-6-11-24-17(13)18(23)21-8-3-7-20-16(22)12-14(2)15-4-9-19-10-5-15/h6,11,14-15,19H,3-5,7-10,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide?
3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide is sourced from PubChem (CID 119798362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).