1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide

C16H27N5O4 — CID 167464143

IUPAC1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCN(CCOCCOCCNC=O)CC2)c1
InChIInChI=1S/C16H27N5O4/c17-16(23)14-11-19-21(12-14)15-1-4-20(5-2-15)6-8-25-10-9-24-7-3-18-13-22/h11-13,15H,1-10H2,(H2,17,23)(H,18,22)
InChIKeyLYGRBFAXSBTOOR-UHFFFAOYSA-N
MW353.42 g/mol
LogP-0.60
Rot. Bonds12

About 1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide

1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 167464143) has the molecular formula C16H27N5O4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID167464143
Molecular FormulaC16H27N5O4
Molecular Weight353.42 g/mol
Exact Mass353.21
IUPAC Name1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCN(CCOCCOCCNC=O)CC2)c1
InChIInChI=1S/C16H27N5O4/c17-16(23)14-11-19-21(12-14)15-1-4-20(5-2-15)6-8-25-10-9-24-7-3-18-13-22/h11-13,15H,1-10H2,(H2,17,23)(H,18,22)
InChIKeyLYGRBFAXSBTOOR-UHFFFAOYSA-N
XLogP-0.60
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948057
1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948054
1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901068
1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948066
1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
CID 95804927
1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126947993
1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948031
1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901018
1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide
CID 175742679
5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one
CID 176978583
1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900915
(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine
CID 167220167

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 167464143) is 1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide is NC(=O)c1cnn(C2CCN(CCOCCOCCNC=O)CC2)c1.
What is the InChIKey of 1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is LYGRBFAXSBTOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4/c17-16(23)14-11-19-21(12-14)15-1-4-20(5-2-15)6-8-25-10-9-24-7-3-18-13-22/h11-13,15H,1-10H2,(H2,17,23)(H,18,22).
What are the key properties of 1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide?
1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of -0.60, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 167464143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).