N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide

C17H24N6O2 — CID 124623652

IUPACN-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC1CCN([C@@H](C)c2nnnn2C2CC2)CC1
InChIInChI=1S/C17H24N6O2/c1-11(16-19-20-21-23(16)14-3-4-14)22-8-5-13(6-9-22)18-17(24)15-7-10-25-12(15)2/h7,10-11,13-14H,3-6,8-9H2,1-2H3,(H,18,24)/t11-/m0/s1
InChIKeyDOQYQOVGZXYATH-NSHDSACASA-N
MW344.42 g/mol
LogP1.86
Rot. Bonds5

About N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide

N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide (PubChem CID 124623652) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide
PubChem CID124623652
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC1CCN([C@@H](C)c2nnnn2C2CC2)CC1
InChIInChI=1S/C17H24N6O2/c1-11(16-19-20-21-23(16)14-3-4-14)22-8-5-13(6-9-22)18-17(24)15-7-10-25-12(15)2/h7,10-11,13-14H,3-6,8-9H2,1-2H3,(H,18,24)/t11-/m0/s1
InChIKeyDOQYQOVGZXYATH-NSHDSACASA-N
XLogP1.86
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]furan-3-carboxamide
CID 95176270
6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053563
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119771791
ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 133469987
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 133361207
N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 133401169
5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 124623612
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 86884110
2-methyl-N-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]furan-3-carboxamide
CID 133287364
2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 119771793
2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide
CID 136544454
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 125162457

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide (CID 124623652) is N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC1CCN([C@@H](C)c2nnnn2C2CC2)CC1.
What is the InChIKey of N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide?
The InChIKey is DOQYQOVGZXYATH-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11(16-19-20-21-23(16)14-3-4-14)22-8-5-13(6-9-22)18-17(24)15-7-10-25-12(15)2/h7,10-11,13-14H,3-6,8-9H2,1-2H3,(H,18,24)/t11-/m0/s1.
What are the key properties of N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide?
N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 124623652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).