N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide

C24H29ClN4O2 — CID 26316479

IUPACN-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C24H29ClN4O2/c1-27-16-18(15-26-27)17-29-11-9-19(10-12-29)22(14-20-6-3-4-7-21(20)25)28(2)24(30)23-8-5-13-31-23/h3-8,13,15-16,19,22H,9-12,14,17H2,1-2H3/t22-/m0/s1
InChIKeyNKNHMJYUCURYDC-QFIPXVFZSA-N
MW440.98 g/mol
LogP4.26
Rot. Bonds7

About N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide

N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide (PubChem CID 26316479) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
PubChem CID26316479
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC NameN-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C24H29ClN4O2/c1-27-16-18(15-26-27)17-29-11-9-19(10-12-29)22(14-20-6-3-4-7-21(20)25)28(2)24(30)23-8-5-13-31-23/h3-8,13,15-16,19,22H,9-12,14,17H2,1-2H3/t22-/m0/s1
InChIKeyNKNHMJYUCURYDC-QFIPXVFZSA-N
XLogP4.26
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide (CID 26316479) is N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CCN(Cc2cnn(C)c2)CC1.
What is the InChIKey of N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The InChIKey is NKNHMJYUCURYDC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-27-16-18(15-26-27)17-29-11-9-19(10-12-29)22(14-20-6-3-4-7-21(20)25)28(2)24(30)23-8-5-13-31-23/h3-8,13,15-16,19,22H,9-12,14,17H2,1-2H3/t22-/m0/s1.
What are the key properties of N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 26316479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).