N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide

C20H29N3O2 — CID 102562155

IUPACN-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-3-16(2)25-19-8-6-17(7-9-19)21-20(24)23-14-10-18(11-15-23)22-12-4-5-13-22/h4-9,16,18H,3,10-15H2,1-2H3,(H,21,24)
InChIKeyTXWMFEWPNHRFCQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.73
Rot. Bonds5

About N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide

N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide (PubChem CID 102562155) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide
PubChem CID102562155
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-3-16(2)25-19-8-6-17(7-9-19)21-20(24)23-14-10-18(11-15-23)22-12-4-5-13-22/h4-9,16,18H,3,10-15H2,1-2H3,(H,21,24)
InChIKeyTXWMFEWPNHRFCQ-UHFFFAOYSA-N
XLogP3.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 98349135
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
4-(2,5-dihydropyrrol-1-yl)-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide
CID 86803965
2-(4-butan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54830331
N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47162409
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide
CID 146075404
N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71870273
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165118
(4-butan-2-yloxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111825794
4-[hydroxy(diphenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 90316470

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide (CID 102562155) is N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide is CCC(C)Oc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1.
What is the InChIKey of N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide?
The InChIKey is TXWMFEWPNHRFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-16(2)25-19-8-6-17(7-9-19)21-20(24)23-14-10-18(11-15-23)22-12-4-5-13-22/h4-9,16,18H,3,10-15H2,1-2H3,(H,21,24).
What are the key properties of N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide?
N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 102562155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).