N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide

C22H30N4O3 — CID 42757063

IUPACN-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCCCC1
InChIInChI=1S/C22H30N4O3/c1-25(2)12-7-11-23-21(27)18-16-17(24-22(28)20-8-6-15-29-20)9-10-19(18)26-13-4-3-5-14-26/h6,8-10,15-16H,3-5,7,11-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeySFVVCNAAUFUQJA-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.20
Rot. Bonds8

About N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide

N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide (PubChem CID 42757063) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
PubChem CID42757063
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCCCC1
InChIInChI=1S/C22H30N4O3/c1-25(2)12-7-11-23-21(27)18-16-17(24-22(28)20-8-6-15-29-20)9-10-19(18)26-13-4-3-5-14-26/h6,8-10,15-16H,3-5,7,11-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeySFVVCNAAUFUQJA-UHFFFAOYSA-N
XLogP3.20
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757059
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757061
5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757060
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-pyrrolidin-1-ylbenzamide
CID 42757301
N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42757303
N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 1320461
5-[(4-butoxybenzoyl)amino]-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 3612260
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide
CID 42755875
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 42757286
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678369
N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4042183
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide (CID 42757063) is N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide is CN(C)CCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCCCC1.
What is the InChIKey of N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide?
The InChIKey is SFVVCNAAUFUQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-25(2)12-7-11-23-21(27)18-16-17(24-22(28)20-8-6-15-29-20)9-10-19(18)26-13-4-3-5-14-26/h6,8-10,15-16H,3-5,7,11-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide?
N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 42757063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).