N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide

C19H29N3O — CID 143556620

IUPACN-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide
SMILESCCN(C=O)c1ccc(N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O/c1-2-20(16-23)17-6-8-18(9-7-17)22-14-10-19(11-15-22)21-12-4-3-5-13-21/h6-9,16,19H,2-5,10-15H2,1H3
InChIKeyOMTVTMYNANLAGF-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.12
Rot. Bonds5

About N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide

N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide (PubChem CID 143556620) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide
PubChem CID143556620
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide
SMILESCCN(C=O)c1ccc(N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O/c1-2-20(16-23)17-6-8-18(9-7-17)22-14-10-19(11-15-22)21-12-4-3-5-13-21/h6-9,16,19H,2-5,10-15H2,1H3
InChIKeyOMTVTMYNANLAGF-UHFFFAOYSA-N
XLogP3.12
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide?
The IUPAC name of N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide (CID 143556620) is N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide.
What is the SMILES notation for N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide?
The canonical SMILES for N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide is CCN(C=O)c1ccc(N2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide?
The InChIKey is OMTVTMYNANLAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-20(16-23)17-6-8-18(9-7-17)22-14-10-19(11-15-22)21-12-4-3-5-13-21/h6-9,16,19H,2-5,10-15H2,1H3.
What are the key properties of N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide?
N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide has a molecular weight of 315.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]formamide is sourced from PubChem (CID 143556620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).